Molecule Details

CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1
3-aminopyridine-like Assayed
View on Fragalysis x10871
Molecular Properties
SMILES:
CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1
MW: 419.14
Fraction sp3: 0.18
HBA: 6
HBD: 1
Rotatable Bonds: 7
TPSA: 80.12
cLogP: 4.07
Covalent Warhead:
Covalent Fragment:
Activity Data
IC50 (µM) - Fluorescence: 1.62763709078255
IC50 (µM) - RapidFire: 12.5622562146219
Trypsin IC50 (µM): 99.0
pIC50 (µM) - Fluorescence 5.78844242195303
Average Inhibition @ 20 µM - Fluorescence: 79.65146
Average Inhibition @ 50 µM - Fluorescence: 89.29024
Average Inhibition @ 50 µM - RapidFire: 78.12914402174
Relative Solubility @ 20 µM: 0.95
Relative Solubility @ 100 µM: 0.9
Order Status
Ordered: 2020-04-16
Synthesis Location: sai
Shipped: 2020-06-30
CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

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CNc1ccc(N(C(=O)Nn2cnc3ccccc3c2=O)c2cccc(Cl)c2)cc1

MAT-POS-06036648-7

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CN(C)c1ccc(N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)cc1

MAT-POS-06036648-1

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CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)cc1

MAT-POS-06036648-3

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CNc1ccc(N(C(=O)Nn2cnc3ccccc32)c2cccc(Cl)c2)cc1

MAT-POS-06036648-8

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CNc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC)c2)cc1

MAT-POS-06036648-6

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CNc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)cc1

MAT-POS-06036648-5

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CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC)c2)cc1

MAT-POS-06036648-4

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COc1cc(Cl)cc(NC(=O)Cn2nnc3ccccc32)c1

MAT-POS-06036648-9

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COc1cc(Cl)cc(N(C(=O)Cn2nnc3ccccc32)c2ccc(N(C)C)cc2)c1

MAT-POS-06036648-2

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COc1ccc(Cl)cc1CC(=O)Nc1cn(C)c(=O)c2ccccc12

MAT-POS-3b92565d-7

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O=C1CC(Oc2cc(Cl)cc(CC(=O)Nn3cnc4ccccc43)c2)N1

MAT-POS-3b92565d-12

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COc1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1

MAT-POS-3b92565d-2

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COc1ccc(Cl)cc1CC(=O)Nn1cnc2ccccc21

MAT-POS-3b92565d-10

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Cn1cc(NC(=O)Cc2cc(Cl)cc(OC3CC(=O)N3)c2)c2ccccc2c1=O

MAT-POS-3b92565d-9

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COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12

MAT-POS-3b92565d-1

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COc1ccc(Cl)cc1CC(=O)Nc1cc(=O)[nH]c2ccccc12

MAT-POS-3b92565d-4

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COc1cc(Cl)cc(CC(=O)Nc2cn(C)c(=O)c3ccccc23)c1

MAT-POS-3b92565d-8

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O=C(Cn1nnc2ccccc21)Nc1cccc(Cl)c1

MAT-POS-3b92565d-14

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COc1cc(Cl)cc(CC(=O)Nc2cc(=O)[nH]c3ccccc23)c1

MAT-POS-3b92565d-5

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O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1cncc2ccccc12

MAT-POS-3b92565d-3

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O=C(Cn1nnc2ccccc21)NCc1cccc(Cl)c1

MAT-POS-3b92565d-13

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O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1cc(=O)[nH]c2ccccc12

MAT-POS-3b92565d-6

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COc1cc(Cl)cc(CC(=O)Nn2cnc3ccccc32)c1

MAT-POS-3b92565d-11

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CN(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc21

EDJ-MED-06d94977-2

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CCC(=O)Nc1ccc(N(C)C(=O)Cn2nnc3ccccc32)cc1

EDJ-MED-06d94977-1

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CC(=O)N1CCN(C(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)CC1

MIC-UNK-6ab519a7-1

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O=C1CC(Oc2cc(Cl)cc(N(C(=O)Cn3nnc4ccccc43)c3ccccc3)c2)N1

DAR-DIA-667e571f-4

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O=C(Cn1nnc2ccccc21)Nc1cc(Cl)cc(OC2CC(=O)N2)c1

DAR-DIA-667e571f-1

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CNc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC3CC(=O)N3)c2)cc1

DAR-DIA-667e571f-3

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O=C1CC(Oc2cc(Cl)cc(N(CCC3CCCCC3)C(=O)Cn3nnc4ccccc43)c2)N1

DAR-DIA-667e571f-7

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O=C1CC(Oc2cc(Cl)cc(N(C(=O)Cn3nnc4ccccc43)c3ccc(NC(=O)C4CC4)cc3)c2)N1

DAR-DIA-667e571f-6

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CN(C)c1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC3CC(=O)N3)c2)cc1

DAR-DIA-667e571f-2

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CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC3CC(=O)N3)c2)cc1

DAR-DIA-667e571f-5

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccccc1

RAL-THA-4a5dabff-1

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CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cn1

RAL-THA-4a5dabff-8

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CCC(=O)Nc1ccc(C(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RAL-THA-4a5dabff-6

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CN(C)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cn1

RAL-THA-4a5dabff-2

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CCC(=O)Nc1ccc(C(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cn1

RAL-THA-4a5dabff-7

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CN(C)c1ccc(C(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RAL-THA-4a5dabff-5

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1cccnc1

RAL-THA-4a5dabff-3

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O=C(Cn1nnc2ccccc21)C(Cc1ccsc1)c1ccccc1

RAL-THA-4a5dabff-4

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CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2cncc2-c2ccccc2)cc1

RAL-THA-d07c7800-4

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CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2cc(-c3ccccc3)nn2)cc1

RAL-THA-d07c7800-2

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CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2ccnn2)cc1

RAL-THA-d07c7800-3

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CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2cnc(-c3ccccc3)c2)cc1

RAL-THA-d07c7800-5

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CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nncc2-c2ccccc2)cc1

RAL-THA-d07c7800-1

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CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2ccnc2)cc1

RAL-THA-d07c7800-6

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O=C(Cn1nnc2ccccc21)Nc1cccc(Cl)c1

MAT-POS-bfb445d4-1

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O=C(Cc1cccc(Cl)c1)Nn1nnc2ccccc21

MAT-POS-bfb445d4-2

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CNC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

ROB-IMP-e811baff-1

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CNC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

ROB-IMP-e811baff-1
0.824

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CNc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-c59291d4-4
0.795

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O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)C1CC1

ALP-POS-c59291d4-3
0.767

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CCC(=O)Nc1ccc(N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-bad7201a-14
0.765

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O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1)c1ccccc1

RUT-UNI-630c5802-1
0.739

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CN(C)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-d2866bdf-1
0.729

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(Cl)cc1

PET-UNK-b75fdf9f-1
0.726

View
CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cn1

RAL-THA-4a5dabff-8
0.717

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CCC(=O)Nc1ccc(N(Cc2cscn2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-87c86d55-2
0.714

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CCC1(c2ccc(N(Cc3ccsc3)C(=O)Cn3nnc4ccccc43)cc2)CC1

RUT-UNI-630c5802-27
0.711

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccccc1

RAL-THA-4a5dabff-1
0.711

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CN(CCO)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RUT-UNI-630c5802-26
0.708

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COc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-bad7201a-5
0.705

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CS(=O)(=O)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

PET-UNK-1901c25b-2
0.697

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CC(C)Cc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RUT-UNI-630c5802-24
0.689

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CC(C)(C(N)=O)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-c0c213c9-6
0.689

View
O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2ccccc2)cc1

ALP-POS-c59291d4-1
0.685

View
O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(N2CCOCC2)cc1

ALP-POS-6d04362c-4
0.660

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(N2CCCCC2)cc1

ALP-POS-6d04362c-3
0.660

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CN(C)c1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cn1

RAL-THA-4a5dabff-2
0.641

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CCC(=O)Nc1ccc(N(C)C(=O)Cn2nnc3ccccc32)cc1

EDJ-MED-06d94977-1
0.640

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1cccnc1

RAL-THA-4a5dabff-3
0.633

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O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

MAT-POS-ffe83904-1
0.612

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Nc1ccc(C2(c3ccc(N(Cc4ccsc4)C(=O)Cn4nnc5ccccc54)cc3)CCCCC2)cc1

RUT-UNI-630c5802-25
0.612

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CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nncc2-c2ccccc2)cc1

RAL-THA-d07c7800-1
0.608

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CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2ccnn2)cc1

RAL-THA-d07c7800-3
0.604

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CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2ccnc2)cc1

RAL-THA-d07c7800-6
0.576

View
CCC(=O)Nc1ccc(C(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RAL-THA-4a5dabff-6
0.576

View
O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccccc1Br

PET-UNK-b75fdf9f-2
0.574

View
CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2cc(-c3ccccc3)nn2)cc1

RAL-THA-d07c7800-2
0.570

View
Cn1ccc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(NC(=O)c3ccccc3)cc2)c1

RUT-UNI-630c5802-5
0.563

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CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)cc1

MAT-POS-06036648-3
0.556

View
CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2cncc2-c2ccccc2)cc1

RAL-THA-d07c7800-4
0.554

View
CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2cnc(-c3ccccc3)c2)cc1

RAL-THA-d07c7800-5
0.549

View
CN(C)c1ccc(N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-6d04362c-1
0.543

View
O=C(Nc1ccc(N(Cc2csc(F)c2)C(=O)Cn2nnc3ccccc32)cc1)c1ccccc1

RUT-UNI-630c5802-9
0.538

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CCC(C)(C)CCN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

RUT-UNI-630c5802-20
0.536

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CCN(C)CCN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

RUT-UNI-630c5802-21
0.536

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CC(CN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21)N(C)C

RUT-UNI-630c5802-18
0.531

View
CC(C)(C)CCN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

RUT-UNI-630c5802-17
0.531

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CC(C)NCCN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

RUT-UNI-630c5802-22
0.525

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Cn1ccc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(-c3ccccc3)cc2)c1

MAD-UNK-84a4f939-1
0.520

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Cn1ccc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(-c3ccccc3)cc2)c1

MAD-UNK-b1ea4171-1
0.520

View
COC(C)CN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

RUT-UNI-630c5802-19
0.510

View
CN(C)c1ccc(N(Cc2cccc(Cl)c2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-bad7201a-15
0.505

View
CN(C)c1ccc(N(Cc2cccc(Cl)c2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-6d04362c-2
0.505

View
CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC)c2)cc1

MAT-POS-06036648-4
0.505

View
CN(C)c1ccc(N(Cc2cscn2)C(=O)Cn2nnc3ccccc32)cc1

ALP-POS-87c86d55-1
0.500

View
O=C(Cn1nnc2ccccc21)N(Cc1ccccc1)c1ccc(N2CCOCC2)cc1

ALP-POS-6d04362c-5
0.495

View
O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1cc(CF)c(-c2ccccc2)c(F)c1F

HOL-KAN-828c7b64-1
0.491

View
CCC(=O)Nc1ccc(C(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cn1

RAL-THA-4a5dabff-7
0.491

View
O=C(Nc1ccc(N(Cc2cc(F)co2)C(=O)Cn2nnc3ccccc32)cc1)c1ccccc1

RUT-UNI-630c5802-13
0.473

View
Cn1cc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(N3CCCCC3)cc2)cn1

ALP-POS-7c842ab8-1
0.472

View
Nc1ccc(CCC(=O)N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RUT-UNI-630c5802-23
0.471

View
CN(C)c1ccc(N(Cc2ccn[nH]2)C(=O)Cn2nnc3ccccc32)cc1

PET-UNK-7374c256-2
0.470

View
CN(C)c1ccc(N(Cc2ccn[nH]2)C(=O)Cn2nnc3ccccc32)cc1

PET-UNK-1901c25b-3
0.470

View
CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC3CC(=O)N3)c2)cc1

DAR-DIA-667e571f-5
0.462

View
CN(C)c1ccc(C(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1

RAL-THA-4a5dabff-5
0.456

View
CN(C)c1ccc(N(Cc2ccsc2)C(=O)Cn2cnc3ccccc32)cc1

PET-UNK-7374c256-1
0.455

View
CN(C)c1ccc(N(Cc2ccsc2)C(=O)Cn2cnc3ccccc32)cc1

ALP-POS-8ed8d9ec-7
0.455

View
CCC(=O)Nc1ccc(N(Cc2ccccc2)C(=O)Nn2nnc3ccccc32)cc1

ALP-POS-a3de0cb1-1
0.452

View
Cc1nnn(CC(=O)N(Cc2ccsc2)c2ccc(N(C)C)cc2)c1C

PET-UNK-b75fdf9f-3
0.448

View
O=C(Cn1nnc2ccccc21)C(Cc1ccsc1)c1ccccc1

RAL-THA-4a5dabff-4
0.430

View
CCC(C)N(C)C(=O)Cn1nnc2ccccc21

MAR-LAB-ca4662a6-7
0.422

View
O=C(Cn1nnc2ccccc21)N(Cc1ccccn1)c1ccc(-n2cnnc2)cc1

ALP-POS-c0c213c9-18
0.421

View
Cc1ccc(N(Cc2ccsc2)C(=O)Nn2nnc3ccccc32)cc1

ALP-POS-bad7201a-9
0.419

View
O=C(Cn1nnc2ccccc21)N(Cc1ccccn1)c1cnc(-c2ccccc2)nc1

ALP-POS-c0c213c9-15
0.415

View
CNc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)cc1

MAT-POS-06036648-5
0.413

View
CN(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc21

EDJ-MED-06d94977-2
0.404

View
CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Cn1nnc2ccccc21

AAR-POS-8a4e0f60-1
0.394

View
O=C(CN(C(=O)Cn1nnc2ccccc21)c1ccc(-c2ccccc2)cc1)N1CCNCC1

ALP-POS-c0c213c9-3
0.393

View
O=C(Cn1nnc2ccccc21)Nc1cccc(Cl)c1

MAT-POS-3b92565d-14
0.392

View
O=C(Cn1nnc2ccccc21)Nc1cccc(Cl)c1

MAT-POS-bfb445d4-1
0.392

View
O=C(Cn1nnc2ccccc21)Nc1cccc(Cl)c1

BEN-DND-61647d40-12
0.392

View
COc1cc(Cl)cc(NC(=O)Cn2nnc3ccccc32)c1

MAT-POS-06036648-9
0.388

View
CCC(=O)Nc1ccc(N(Cc2cccc(Cl)c2)C(=O)Nc2nnn3ccccc23)cc1

ALP-POS-a3de0cb1-2
0.388

View
CCC(C)(C)CCN(C(=O)Cn1nnc2ccccc21)c1ccc(Oc2nnn[nH]2)cc1

WIL-UNI-2e73223c-2
0.386

View
CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC2CCCC2)c2ccc(C)o2)cc1

MAR-LAB-ff9967db-4
0.381

View
CN(C)c1ccc(N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)cc1

MAT-POS-06036648-1
0.381

View
NCc1cn(CC(=O)N(Cc2ccsc2)c2ccc(N3CCOCC3)cc2)nn1

ALP-POS-c0c213c9-12
0.378

View
NCc1cn(CC(=O)N(Cc2ccsc2)c2ccc(-c3ccccc3)cc2)nn1

ALP-POS-c0c213c9-5
0.377

View
CNc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC)c2)cc1

MAT-POS-06036648-6
0.375

View
Cc1ccncc1CC(=O)N(Cc1ccsc1)c1ccc(NC(=O)c2ccccc2)cc1

RUT-UNI-630c5802-4
0.375

View
CN(Cc1ccc(OCc2cccs2)cc1)C(=O)Cn1nnc2ccccc21

AAR-POS-8a4e0f60-8
0.375

View
CN(C(=O)Cn1nnc2ccccc21)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

AAR-POS-8a4e0f60-7
0.373

View
O=C(Nc1ccc(N(Cc2ccsc2)C(=O)Cc2cccnc2)cc1)c1ccccc1

RUT-UNI-630c5802-2
0.369

View
CCC(=O)Nc1ccc(N(Cc2ccoc2)C(=O)Nn2cnc3ccccc32)cc1

ALP-POS-bad7201a-7
0.368

View
O=C(Cn1nnc2ccccc21)N(CC1CCOC1)c1ccc(C2CCNCC2)cc1

ALP-POS-c0c213c9-13
0.368

View
NCc1cn(CC(=O)N(Cc2ccsc2)c2ccc(-n3cnnc3)cc2)nn1

ALP-POS-c0c213c9-11
0.367

View
O=C(Cn1nnc2ccccc21)N(Cc1csc(O)c1)c1cc(CF)c(-c2ccccc2)c(Cl)c1F

HOL-KAN-47917554-1
0.366

View
CCOCC(=O)NCc1ccc(CNC(=O)Cn2nnc3ccccc32)cc1

AAR-POS-8a4e0f60-4
0.365

View
N#Cc1cncc(NC(=O)Cn2nnc3ccccc32)c1

BEN-DND-61647d40-2
0.365

View
O=C(Cn1nnc2ccccc21)NCc1cccs1

MAR-LAB-ca4662a6-8
0.364

View
COc1ccc(N(Cc2ccsc2)C(=O)Nc2nnn3ccccc23)cc1

ALP-POS-8ed8d9ec-10
0.363

View
Nc1ccc(CC(=O)N(Cc2ccsc2)c2ccc(NC(=O)c3ccccc3)cc2)cn1

RUT-UNI-630c5802-3
0.363

View
O=C1CC(Oc2cc(Cl)cc(N(C(=O)Cn3nnc4ccccc43)c3ccc(NC(=O)C4CC4)cc3)c2)N1

DAR-DIA-667e571f-6
0.362

View
CC(C)(C)NC(=O)C(c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1

MAR-LAB-ff9967db-24
0.357

View
CNc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC3CC(=O)N3)c2)cc1

DAR-DIA-667e571f-3
0.347

View
COc1cc(Cl)cc(N(C(=O)Cn2nnc3ccccc32)c2ccc(N(C)C)cc2)c1

MAT-POS-06036648-2
0.345

View
CCC(C)(C)CCN(C(=O)Cn1nnc2ccccc21)C(c1ccccc1)c1nnn[nH]1

WIL-UNI-2e73223c-1
0.342

View
O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccccc1

0.774

View
CN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

0.625

View
CCC(=O)Nc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.623

View
O=C(Cn1nnc2ccccc2c1=O)N(Cc1ccsc1)c1ccccc1

0.590

View
CN(C)CCN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

0.583

View
O=C(Cn1nnc2ccccc21)N(Cc1ccccc1)c1ccccc1

0.582

View
O=C(Cn1nnc2ccccc21)Nc1ccsc1

0.582

View
CCN(C(=O)Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1)c1ccccc1

0.581

View
O=C(Cn1nnc2ccccc2c1=O)N(Cc1ccsc1)c1ccc(Br)cc1

0.578

View
CCN(CC)Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.576

View
O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)C1CC1

0.574

View
Cc1ccc(N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

0.569

View
CCN(CC)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.569

View
CCC(=O)NCC(=O)N(Cc1ccsc1)c1ccccc1

0.569

View
CCN(CC)c1ccc(N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1

0.567

View
CCN(C(=O)Cn1nnc2ccccc21)C(C)Cc1ccsc1

0.565

View
CN(C)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.561

View
Cc1ccc(N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1

0.559

View
CN(Cc1ccccc1)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.557

View
CCCCN(C)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.557

View
CC(=O)NCCN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21

0.556

View
O=C(Cn1nnc2ccccc21)NCc1ccsc1

0.552

View
CS(=O)(=O)Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.552

View
CCC(=O)N(Cc1ccsc1)c1ccccc1

0.545

View
CCc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.544

View
COc1ccc(N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1

0.541

View
CC(C)c1nnnn1CC(=O)N(Cc1ccsc1)c1ccccc1

0.540

View
CCc1ccc(N(CC)C(=O)Cn2nnc3ccccc32)cc1

0.534

View
CC(=O)N(C)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.533

View
CN(C)C(=O)Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.533

View
CCN(c1ccc(NC(=O)Cn2nnc3ccccc32)cc1)C(C)C

0.532

View
COc1ccc(N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1

0.532

View
CN(CCO)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.532

View
O=C(Cn1cnc2ccccc21)N(Cc1ccsc1)c1ccccc1

0.532

View
CC(C)N(C)Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.532

View
CCn1nnc2cc(C(=O)N(Cc3ccsc3)c3ccccc3)ccc21

0.530

View
CCC(=O)Nc1ccc(CN(C(=O)CC)c2ccccc2)cc1

0.526

View
CCCc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.525

View
CC(=O)Nc1ccc(CC(=O)N(Cc2ccsc2)c2ccccc2)cc1

0.525

View
CN(C)C(=O)COc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.524

View
CN(C(=O)Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1)c1ccccc1

0.524

View
Cc1nc2ccccc2n1CC(=O)N(Cc1ccsc1)c1ccccc1

0.524

View
Cc1c(CC(=O)N(Cc2ccsc2)c2ccccc2)nnn1-c1ccccc1

0.523

View
O=C(Cn1nnc2c1CCCC2)N(Cc1ccsc1)c1ccccc1

0.523

View
CCN(C(=O)Cn1nnc2ccccc21)c1ccccc1

0.518

View
CC(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.517

View
CCCCN(C(=O)Cn1nnc2ccccc21)c1ccccc1

0.517

View
CCOc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.517

View
CCOC(=O)Nc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.517

View
CN(C)CCC(=O)Nc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.517

View
CCC(=O)Nc1ccc(NC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1

0.516

View
O=C(Cn1cnnn1)N(Cc1ccsc1)c1ccccc1

0.516

View
CC(Cc1ccsc1)NC(=O)Cn1nnc2ccccc21

0.516

View
CS(=O)(=O)Cc1cccc(NC(=O)Cn2nnc3ccccc32)c1

0.516

View
CCn1c(=O)n(CC(=O)N(Cc2ccsc2)c2ccccc2)c2ccccc21

0.516

View
CCC(=O)Nc1cccc(C(=O)N(Cc2ccsc2)c2ccccc2)c1

0.516

View
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cn2nnc3ccccc32)cc1

0.516

View
CCOC(=O)N(C)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.516

View
Cc1ccc(NC(=O)CSCC(=O)N(Cc2ccsc2)c2ccccc2)cc1

0.516

View
CC(=O)N(Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1)C(C)C

0.516

View
CC(=O)N(c1ccc(NC(=O)Cn2nnc3ccccc32)cc1)C1CC1

0.516

View
O=C(CCn1nnc2ccccc2c1=O)N(Cc1ccsc1)c1ccccc1

0.515

View
CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N(Cc1ccsc1)c1ccccc1

0.515

View
O=C(Cn1nnc2ccccc2c1=O)N(Cc1ccsc1)c1cccnc1

0.515

View
O=C(Cn1nnc2ccccc21)Nc1ccccc1

0.509

View
CC(=O)Nc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.509

View
O=C(Cn1nnc2ccccc21)Nc1ccc(N=Nc2ccccc2)cc1

0.508

View
CS(=O)(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.508

View
CS(=O)(=O)Nc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.508

View
CCN(C(=O)Cn1nnc2ccccc21)c1ccc(Br)cc1

0.508

View
CN(C)CC(=O)Nc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.508

View
CCN(C(=O)Cc1ccsc1)c1ccc(NC(=O)Cc2ccsc2)cc1

0.508

View
CCN(C(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1

0.508

View
N#CCc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.508

View
O=C(Cn1nnc2ccccc21)Nc1ccc(NC(=O)c2cccs2)cc1

0.508

View
CCCCc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.508

View
CCOc1ccc(N(CC)C(=O)Cn2nnc3ccccc32)cc1

0.508

View
CN(C)CCc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.508

View
O=C(Cn1cc2ccccc2n1)N(Cc1ccsc1)c1ccccc1

0.508

View
CS(=O)(=O)NCc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.508

View
Cn1cnn(CC(=O)N(Cc2ccsc2)c2ccccc2)c1=O

0.508

View
CCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccsc2)c2ccccc2)cc1

0.508

View
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)Cn1nnc2ccccc21

0.508

View
CCC(=O)Nc1cccc(CNC(=O)Cn2nnc3ccccc32)c1

0.508

View
CCCN(CCC)C(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.508

View
CCN(CC)Cc1cccc(NC(=O)Cn2nnc3ccccc32)c1

0.508

View
CCC(=O)Nc1ccc(C)c(NC(=O)Cn2nnc3ccccc32)c1

0.508

View
COC(=O)N(C)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.508

View
CN(Cc1ccsc1)C(=O)NCCn1nnc2ccccc21

0.508

View
O=C(Cn1c(=O)cnc2ccccc21)N(Cc1ccsc1)c1ccccc1

0.508

View
CCN(CC)CCOc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.508

View
O=C(Cn1nnnc1C1CC1)N(Cc1ccsc1)c1ccccc1

0.508

View
CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)Cn1nnc2ccccc21

0.508

View
CCCN(C(=O)Cn1nnc2ccccc21)C(C)CC(=O)Nc1ccccc1

0.508

View
CC(=O)N(c1ccc(NC(=O)Cn2nnc3ccccc32)cc1)C1CC1C

0.508

View
O=C(CCn1nnc2ccccc2c1=O)N(Cc1ccsc1)c1ccc(Br)cc1

0.507

View
O=C(Cn1nnc2ccccc21)Nc1ccc(Br)cc1

0.500

View
O=C(Cn1nnc2ccccc21)Nc1ccc(I)cc1

0.500

View
O=C(Cn1nnc2ccccc21)Nc1ccc(Cl)cc1

0.500

View
N#Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1

0.500

View

C(N(CC1=CC=CC=C1)C1=CC=CC=C1)(=O)CN1C2=C(C=CC=C2)N=N1

0.825

View
C(N(C(CN1CCN(CC2C=CSC=2)CC1)=O)C1=CC=C(C)C=C1)(=O)CN1C2=C(C=CC=C2)N=N1

0.804

View
C(N(C(CN1CCN(CC2C=CSC=2)CC1)=O)C1=CC=CC(C)=C1)(=O)CN1C2=C(C=CC=C2)N=N1

0.798

View
C(N(C1=CC=C(OC)C=C1)CC1=CC=CC=C1)(=O)CN1C2=C(C=CC=C2)N=N1

0.797

View
C(N(C(CCN1CCN(CC2C=CSC=2)CC1)=O)C1=CC=C(F)C=C1)(=O)CN1C2=C(C=CC=C2)N=N1

0.793

View


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