Molecule Details

CC(=O)Nc1cnccc1C
Duplicate Enamine Mcule MolPort
View on Fragalysis x0107
Molecular Properties
SMILES:
CC(=O)Nc1cnccc1C
MW: 150.181
Fraction sp3: 0.25
HBA: 2
HBD: 1
Rotatable Bonds: 1
TPSA: 41.99
cLogP: 1.34842
Covalent Warhead:
Covalent Fragment: ✔️
Source
Enamine BB: EN300-303896
Enamine SCR: Z1129283193
Enamine Extended REAL: s_22____3391102____58844
Mcule: MCULE-9505394671
Mcule Ultimate: WRPYDRDMRXJIJA-UHFFFAOYSA-N
MolPort: MolPort-003-985-997
CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

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CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
1.000

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C=CC(=O)Nc1cnccc1C

MAK-UNK-6ca90168-27
0.634

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.619

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CO[C@H](C)C(=O)Nc1cnccc1C

ERI-UCB-5b47150d-1
0.614

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CO[C@@H](C)C(=O)Nc1cnccc1C

MAT-POS-590ac91e-2
0.614

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CO[C@H](C)C(=O)Nc1cnccc1C

MAT-POS-590ac91e-1
0.614

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CC(=O)N[C@@H](C)C(=O)Nc1cnccc1C

MAT-POS-590ac91e-13
0.609

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CC(C(=O)Nc1cnccc1C)=C1CC1

ERI-UCB-5b47150d-4
0.587

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Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.578

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Cc1ccncc1NC(=O)[C@H](C)OC(F)F

MAT-POS-590ac91e-16
0.562

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Cc1ccncc1NC(=O)[C@@H](C)OC(F)F

MAT-POS-5d20d11c-1
0.562

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CC(=O)Nc1ccc(NCC(=O)Nc2cnccc2C)cc1

GAB-REV-70cc3ca5-21
0.549

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Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.542

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Cc1ccncc1NC(=O)CC(C)C(C)C

MAT-POS-590ac91e-11
0.542

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Cc1ccncc1NC(=O)NCCBr

ALE-HEI-f28a35b5-13
0.542

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Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.540

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Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
0.531

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Cc1ccncc1NC(=O)Nc1ccccc1

ALE-HEI-f28a35b5-1
0.531

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Cc1ccncc1NC(=O)[C@@H]1C[C@H]1CF

ERI-UCB-5b47150d-6
0.529

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Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.529

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Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.520

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Cc1ccncc1NC(=O)N1CCN(C)CC1

ALE-HEI-f28a35b5-17
0.520

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Cc1ccncc1NC(=O)N1CCN(C)CC1

SCO-VAN-260d9628-1
0.520

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Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.520

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Cc1ccncc1NC(=O)[C@@H]1[C@H]2CCCC[C@H]21

MAT-POS-590ac91e-19
0.510

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Cc1ccncc1NC(=O)CCCCC(=N)N

PET-SGC-6e7c5dc0-1
0.510

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Cc1ccncc1NC(=O)C1CC(C2CC2)C1

MAT-POS-590ac91e-18
0.510

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Cc1ccncc1NC(=O)C12CC(CO1)C2

MAT-POS-590ac91e-4
0.509

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Cc1ccncc1NS(C)(=O)=O

IND-SYN-2c708b29-2
0.500

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Cc1ccncc1NC(=O)NC1CCCCC1

TRY-UNI-714a760b-11
0.500

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Cc1ccncc1NC(=O)C(C)c1ccccc1

TRY-UNI-714a760b-17
0.500

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CC(=O)N1CCN(C(C)C(=O)Nc2cnccc2C)CC1

BEN-DND-6de5dfa0-10
0.500

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Cc1ccncc1NC(=O)NC1CCCCC1

ALE-HEI-f28a35b5-7
0.500

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COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.500

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Cc1ccncc1NC(=O)C(C)CC1CC1

MAT-POS-590ac91e-5
0.500

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Cc1ccncc1NC(=O)C(C)c1ccccc1

AHN-SAT-202241f6-1
0.500

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CC(=O)N1CCN(CC(=O)Nc2cnccc2C)CC1

BEN-DND-93268d01-8
0.500

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Cc1nnc(NC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-2
0.500

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Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.491

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Cc1ccncc1NC(=O)C(F)c1ccccc1

ABI-SAT-4d06482b-1
0.491

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Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.491

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Cc1ccncc1NC(=O)CC1CC2CC2C1

MAT-POS-590ac91e-23
0.491

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Cc1ccncc1NC(=O)C1CC(C2CC2Cl)C1

DAR-DIA-6a508060-12
0.491

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Cc1ccncc1NC(=O)C1CCC12CCC2

MAT-POS-590ac91e-22
0.491

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Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.491

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Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.491

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Cc1ccncc1NC(=O)[C@@H]1CNC(=O)O1

MAT-POS-590ac91e-12
0.491

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Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.491

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Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.491

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Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.491

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Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.481

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Cc1cc(CC(=O)Nc2cnccc2C)[nH]n1

EDJ-MED-c9f55a56-1
0.481

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Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.481

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Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.481

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Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.481

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Cc1ccncc1NC(=O)[C@H]1C[C@](O)(C#N)C1

MAT-POS-590ac91e-26
0.481

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Cc1ccncc1NC(=O)C(CO)c1ccccc1

BEN-DND-93268d01-3
0.481

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CC(=O)NC1CCN(CC(=O)Nc2cnccc2C)CC1

BEN-DND-6de5dfa0-14
0.475

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Cc1ccncc1NC(=O)C12CCC(CO1)C2

MAT-POS-590ac91e-29
0.474

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Cc1ccncc1NC(=O)C1C2CCOCC21

MAT-POS-590ac91e-28
0.474

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Cc1ccncc1NC(=O)C(C)C1CCCCC1

TRY-UNI-714a760b-16
0.473

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Cc1ccncc1NC(=O)Nc1cccc(Cl)c1

TRY-UNI-714a760b-12
0.473

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Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.473

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Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.473

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Cc1ccncc1NC(=O)CC1(C#N)CCC1

MAT-POS-590ac91e-15
0.473

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Cc1ccncc1NC(=O)C1CCC2(CC2)C1

MAT-POS-590ac91e-21
0.473

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Cc1ccncc1NC(=O)[C@@]12COC[C@@H]1C2

MAT-POS-590ac91e-3
0.473

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.473

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CCO[C@@H]1C[C@H]1C(=O)Nc1cnccc1C

MAT-POS-590ac91e-8
0.473

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Cc1ccncc1NC(=O)Nc1cccc(Cl)c1

JAG-UCB-cedd89ab-8
0.473

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Cc1ccncc1NC(=O)NCCCC(N)N

ALE-HEI-f28a35b5-11
0.473

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.473

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.464

View
Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.464

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.464

View
Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.464

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Cc1ccncc1NC(=O)C(C)Cc1ccccc1

BEN-DND-93268d01-14
0.464

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Cc1ccncc1NC(=O)Cc1ccc(S(N)(=O)=O)cc1

GAB-REV-70cc3ca5-20
0.464

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Cc1ccncc1NC(=O)C(=O)c1cccc(Cl)c1

MAK-UNK-6ca90168-24
0.464

View
Cc1ccncc1NC(=O)CC(C)(C)c1ccccc1

BEN-DND-93268d01-13
0.464

View
Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.464

View
Cc1ccncc1NC(=O)CCSCCS(C)(=O)=O

MAK-UNK-372b0df5-3
0.456

View
Cc1ccncc1NC(=O)CN1CCCC1=O

BEN-DND-22e6b372-4
0.456

View
Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.456

View
Cc1ccncc1NC(=O)N(C)c1cccc(Cl)c1

EDG-MED-0da5ad92-3
0.456

View
Cc1ccncc1NC(=O)C1(C#N)CCOC1

MAT-POS-590ac91e-27
0.456

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Cc1ccncc1NC(=O)C(C#N)CC1CC1

MAT-POS-590ac91e-14
0.456

View
Cc1ccncc1NC(=O)C(C)c1cncc(Cl)c1

TRY-UNI-2eddb1ff-3
0.456

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.456

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.456

View
Cc1ccncc1NC(=O)N(c1cccc(Cl)c1)c1cccc(Cl)c1

EDG-MED-0da5ad92-19
0.456

View
Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1

GAB-REV-70cc3ca5-13
0.448

View
Cc1ccncc1NC(=O)CN1CCN(S(C)(=O)=O)CC1

BEN-DND-6de5dfa0-3
0.448

View
Cc1ccncc1NC(=O)Nc1cncc(C#N)c1

CHR-SOS-363cfb78-2
0.448

View
Cc1ccncc1NC(=O)C(C)(C)c1cccc(Cl)c1

EDG-MED-0da5ad92-10
0.448

View
Cc1ccncc1NC(=O)CN1CCN(C)C(=O)C1

BEN-DND-6de5dfa0-5
0.448

View
Cc1ccncc1NC(=O)C(C)(C(=O)Nc1cnccc1C)c1cccc(Cl)c1

MAK-UNK-f203cb68-18
0.448

View
Cc1ccncc1NC(=O)C(C)(C)c1cccc(Cl)c1

JAN-GHE-83b26c96-22
0.448

View
COCC(C(=O)Nc1cnccc1C)c1ccccc1

BEN-DND-93268d01-2
0.448

View
Cc1ccncc1NC(=O)CC1CCCNC1

EDG-MED-0da5ad92-9
0.448

View
CC(=O)Nc1ccc(NC(=O)Nc2cnccc2C)cc1

0.735

View
CC(=O)Nc1ccc(NC(=O)C(=O)Nc2cnccc2C)cc1

0.735

View
CC(=O)NNC(=O)Nc1cnccc1C

0.727

View
CC(=O)Nc1ccncc1NC(C)=O

0.724

View
CC(=O)Nc1cc(C(=O)Nc2cnccc2C)ccc1C

0.722

View
CC(=O)Nc1cc(NC(=O)Nc2cnccc2C)ccc1C

0.703

View
CC(=O)Nc1cc(NC(=O)C(=O)Nc2cnccc2C)ccc1C

0.703

View
CC(C)=C(C)C(=O)Nc1cnccc1C

0.697

View
CC(=O)Nc1ccc(NC(=S)Nc2cnccc2C)cc1

0.694

View
CC(=O)Nc1ccc(C(=O)Nc2cnccc2C)cc1

0.694

View
CC(=O)NCC(=O)Nc1cnccc1C

0.686

View
Cc1ccncc1NC(=O)c1ccncn1

0.686

View
CC(=O)Nc1cccc(C(=O)Nc2cnccc2C)c1C

0.684

View
CC(=O)Nc1ccc(NC(=O)Nc2cnccc2C)cc1C

0.684

View
CC(=O)Nc1ccc(NC(=O)C(=O)Nc2cnccc2C)cc1C

0.684

View
CC(C)=CC(=O)Nc1cnccc1C

0.676

View
CC(=O)Nc1ccncc1NC(=O)c1cnccc1C

0.667

View
Cc1ccncc1NC(=O)C(C)(C)C

0.667

View
Cc1ccncc1NC(=O)c1ccncc1

0.667

View
Cc1ccncc1NC(=O)C(F)F

0.667

View
CC(=O)NC(C)C(=O)Nc1cnccc1C

0.667

View
Cc1ccncc1NC(=O)C(C)C(C)C(=O)Nc1cnccc1C

0.667

View
CC(=O)NCC(=O)NCC(=O)Nc1cnccc1C

0.667

View
CC(=O)NC(C)(C)C(=O)Nc1cnccc1C

0.667

View
CC(=O)Nc1ccccc1CC(=O)Nc1cnccc1C

0.667

View
Cc1ccncc1NC(=O)c1cnccc1C

0.667

View
Cc1ccncc1NC(=O)C=CC=CC(=O)Nc1cnccc1C

0.667

View
CC(=O)NCCNC(=O)Nc1cnccc1C

0.667

View
Cc1ccncc1NC(=O)CN

0.667

View
Cc1ccncc1NC(=O)CCl

0.667

View
CC(=O)Nc1cccc(NC(=O)Nc2cnccc2C)c1

0.658

View
CC(=O)Nc1cccc(NC(=O)C(=O)Nc2cnccc2C)c1

0.658

View
Cc1ccncc1NC(=O)c1cnccn1

0.657

View
CC(=O)CCC(=O)Nc1cnccc1C

0.657

View
CC=C(C)C(=O)Nc1cnccc1C

0.657

View
CC(=O)c1ccc(C(=O)Nc2cnccc2C)cc1

0.657

View
CC(=O)Nc1cc(C(=O)Nc2cnccc2C)ccc1F

0.650

View
CC(=O)Nc1ccc(C(=O)Nc2cnccc2C)cc1F

0.650

View
CC(=O)NCCC(=O)Nc1cnccc1C

0.649

View
CC(=CC(=O)Nc1cnccc1C)C(C)C

0.649

View
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cnccc1C

0.649

View
CC(=O)NCCNC(=O)C(=O)Nc1cnccc1C

0.649

View
Cc1ccncc1NC(=O)CCCCC(=O)Nc1cnccc1C

0.647

View
Cc1ccncc1NC(=O)CO

0.647

View
Cc1ccncc1NC(=O)CCCC(=O)Nc1cnccc1C

0.647

View
COCC(=O)Nc1cnccc1C

0.647

View
Cc1ccncc1NC(=O)C(F)(F)C(F)(F)C(=O)Nc1cnccc1C

0.647

View
Cc1ccncc1NC(=O)c1ccncc1C

0.647

View
Cc1ccccc1NC(=O)Nc1cnccc1C

0.647

View
Cc1ccccc1NC(=O)C(=O)Nc1cnccc1C

0.647

View
Cc1ccncc1NC(=O)C(F)(F)F

0.647

View
CC(=O)Nc1ccc(CC(=O)Nc2cnccc2C)cc1

0.641

View
CC(=O)Nc1c(C)cccc1C(=O)Nc1cnccc1C

0.641

View
CC(=O)Nc1ccc(C)c(C(=O)Nc2cnccc2C)c1

0.641

View
CC(=O)Nc1ccccc1CNc1cnccc1C

0.641

View
Cc1ccncc1NC(=O)c1ccccn1

0.639

View
Cc1ccncc1NC(=O)CCSCCC(=O)Nc1cnccc1C

0.639

View
Cc1ccc(C(=O)C(=O)Nc2cnccc2C)cc1

0.639

View
Cc1ccncc1NC(=O)c1cc[nH]n1

0.639

View
CC(=CC(=O)Nc1cnccc1C)C(=O)Nc1cnccc1C

0.639

View
CC(=O)Nc1cc(C)c(C)cc1-c1cnccc1C

0.639

View
CC(=O)Nc1ccccc1CNC(=O)Nc1cnccc1C

0.634

View
CC(=O)Nc1ccc(NC(=O)C(=O)Nc2cnccc2C)cc1Cl

0.634

View
CC(=O)Nc1cc(NC(=O)C(=O)Nc2cnccc2C)ccc1Cl

0.634

View
CC(=O)NC(C(=O)Nc1cnccc1C)C(C)C

0.632

View
CC(=O)N[C@@H](C(=O)Nc1cnccc1C)C(C)C

0.632

View
CC(=O)NCCCNC(=O)Nc1cnccc1C

0.632

View
Cc1ccncc1NC(=O)CCCCCC(=O)Nc1cnccc1C

0.629

View
Cc1ccncc1NC(=O)CCCCCCC(=O)Nc1cnccc1C

0.629

View
Cc1ccncc1NC(=O)C(C)O

0.629

View
Cc1ccncc1NC(=O)c1ccccc1

0.629

View
Cc1ccc(C(=O)Nc2cnccc2C)cc1

0.629

View
Cc1ccncc1NC(=O)CSCC(=O)Nc1cnccc1C

0.629

View
Cc1ccncc1NC(=O)COCC(=O)Nc1cnccc1C

0.629

View
Cc1ccncc1NC(=O)C1CCC(C(=O)Nc2cnccc2C)CC1

0.629

View
Cc1ccncc1NC(=O)CCCCCCCC(=O)Nc1cnccc1C

0.629

View
Cc1ccncc1NC(=O)c1ccc(C(=O)Nc2cnccc2C)s1

0.629

View
Cc1ccncc1NC(=O)C(C)(C)O

0.629

View
Cc1ccncc1NC(=O)CN(C)C

0.629

View
Cc1ccncc1NC(=O)c1cncc(C(=O)Nc2cnccc2C)c1

0.629

View
Cc1ccncc1NC(=O)Cc1ccc(CC(=O)Nc2cnccc2C)cc1

0.629

View
Cc1ccncc1NC(=O)C1CCC1C(=O)Nc1cnccc1C

0.629

View
Cc1ccncc1NC(=O)c1c(C)cccc1C

0.629

View
Cc1ccncc1NC(=O)C(C)(Cl)Cl

0.629

View
Cc1ccncc1NC(=O)c1cncnc1

0.629

View
Cc1ccncc1NC(=O)C(C)(F)F

0.629

View
Cc1ccncc1NC(=O)C(C)(C)F

0.629

View
Cc1ccncc1NC(=O)C(=O)C(C)(C)C

0.629

View
Cc1ccncc1NC(=O)c1ccc(C(=O)Nc2cnccc2C)o1

0.629

View
Cc1ccncc1NC(=O)c1ncccn1

0.629

View
Cc1ccncc1NC(=O)C(C)C(C)C

0.629

View
Cc1ccncc1NC(=O)[C@@H](C)O

0.629

View
Cc1ccncc1NC(=O)C12CCC(C(=O)Nc3cnccc3C)(CC1)CC2

0.629

View
Cc1ccncc1NC(=O)C1C(C)C1C(=O)Nc1cnccc1C

0.629

View
Cc1ccncc1NC(=O)[C@H]1CC[C@H](C(=O)Nc2cnccc2C)CC1

0.629

View
Cc1ccncc1NC(=O)C(=O)Nc1c(C)cccc1C

0.629

View
Cc1ccncc1NC(=O)NC(C)C

0.629

View
Cc1ccncc1NC(=O)NC(C)(C)C

0.629

View
Cc1ccncc1NC(=O)C(=O)N(C)C

0.629

View
Cc1ccncc1NC(=O)C(=O)Nc1cscc1C

0.629

View
Cc1ccncc1NC(=O)C(F)(F)F

0.190

View
CC(=O)Nc1cccnc1

0.188

View
CC(=O)Nc1cnccc1C=O

0.115

View
C(NC1=C(C)C=CN=C1)(=O)C

1.000

View
C(NC1=C(C)C=CN=C1)(=O)CC

0.922

View
C(NC1=C(C)C=CN=C1)(=O)CC#N

0.883

View
C(NC1=C(C)C=CN=C1)(=O)CCC

0.867

View
C(NC1=C(C)C=CN=C1)(=O)CC#C

0.867

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