Molecule Details

Cc1ccncc1NC(=N)Cc1cccc(Cl)c1
Ordered
Molecular Properties
SMILES:
Cc1ccncc1NC(=N)Cc1cccc(Cl)c1
MW: 259.09
Fraction sp3: 0.14
HBA: 2
HBD: 2
Rotatable Bonds: 3
TPSA: 48.77
cLogP: 3.68
Covalent Warhead:
Covalent Fragment:
Order Status
Ordered: 2020-05-17
Synthesis Location: enamine
Shipped: synthesis in progress

imine

imine

acyclic C=N-H

Imine 3

O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.700

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Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.559

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Cc1ccncc1NS(=O)(=O)Cc1cccc(Cl)c1

JAN-GHE-83b26c96-17
0.507

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

EDG-MED-0da5ad92-5
0.493

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1Cl

SAM-UNK-2684b532-13
0.493

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1Cl

ALP-POS-95b75b4d-8
0.493

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Cc1ccncc1N(C)C(=O)Cc1cccc(Cl)c1

JAN-GHE-83b26c96-15
0.486

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Cc1ccncc1N(C)C(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-1
0.486

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1O

ALP-POS-95b75b4d-6
0.485

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Cc1ccncc1NC(=O)Nc1cccc(Cl)c1

TRY-UNI-714a760b-12
0.485

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Cc1ccncc1NC(=O)Nc1cccc(Cl)c1

JAG-UCB-cedd89ab-8
0.485

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Cc1ccncc1NC(=O)[C@H](C)c1cccc(Cl)c1

TRY-UNI-2eddb1ff-5
0.479

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Cc1ccncc1NC(=O)[C@@H](C)c1cccc(Cl)c1

JAN-GHE-83b26c96-5
0.479

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

TRY-UNI-714a760b-18
0.479

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Cc1ccncc1NC(=O)[C@@H](C)c1cccc(Cl)c1

TRY-UNI-2eddb1ff-4
0.479

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Cc1ccncc1NC(=O)[C@H](C)c1cccc(Cl)c1

JAN-GHE-83b26c96-4
0.479

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Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.478

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

MAK-UNK-6ca90168-24
0.478

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Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.478

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Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.478

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Cc1ccncc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1

SAD-SAT-7d5528d9-7
0.475

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CC(C)c1ccncc1NC(=O)Cc1cccc(Cl)c1

MAT-POS-bb423b95-5
0.472

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

JAN-GHE-83b26c96-23
0.472

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

JAN-GHE-83b26c96-9
0.472

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Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.471

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Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.471

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

EDG-MED-0da5ad92-19
0.471

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

EDG-MED-0da5ad92-3
0.471

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Cc1ccncc1NC(=O)Cc1cccc(OCc2cccc(Cl)c2)n1

RIT-AID-a492ba81-1
0.471

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Cc1cnncc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-16
0.471

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Cc1ccncc1NC(=O)C1(Cc2cccc(Cl)c2)CCOCC1

SAD-SAT-7d5528d9-4
0.469

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

MAK-UNK-f203cb68-18
0.465

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

JAN-GHE-83b26c96-22
0.465

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NC(=O)c1ccncc1NC(=O)Cc1cccc(Cl)c1

ANN-UNI-98d2bf15-3
0.465

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

EDG-MED-0da5ad92-10
0.465

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.464

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.464

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Cc1ccncc1NC(=O)Cc1cccc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-3
0.461

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CCCC(C(=O)Nc1cnccc1C)c1cccc(Cl)c1

JAN-GHE-83b26c96-8
0.461

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1C1CC1

MAT-POS-bb423b95-4
0.459

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Cc1ccncc1NC(=O)Cc1cccc(C(C)(F)F)c1

DAR-DIA-0cde14eb-79
0.459

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1C1CC1

ALP-POS-95b75b4d-5
0.459

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

JAN-GHE-83b26c96-10
0.459

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COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.458

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N#Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

MAK-UNK-6ca90168-23
0.458

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Cc1cncc(NC(=O)Cc2cccc(Cl)c2)c1C

PET-UNK-8df914d1-3
0.457

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CCC(O)(C(=O)Nc1cnccc1C)c1cccc(Cl)c1

BAR-COM-0f94fc3d-38
0.453

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COC(=O)C(C(=O)Nc1cnccc1C)c1cccc(Cl)c1

MAT-POS-1e5f28a7-1
0.453

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Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

JAN-GHE-83b26c96-14
0.452

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Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

DAR-DIA-0cde14eb-76
0.452

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1C(F)(F)F

SAM-UNK-2684b532-12
0.452

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Cc1ccncc1NC(=O)Cc1cccc(C(N)=O)c1

ANN-UNI-98d2bf15-2
0.452

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1C(F)F

SAM-UNK-2684b532-11
0.452

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Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

ALP-POS-95b75b4d-3
0.452

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Cc1ccncc1NC(=O)Cc1cccc(C2(F)CC2)c1

DAR-DIA-0cde14eb-2
0.447

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Cc1ccncc1N(CC=O)C(=O)Cc1cccc(Cl)c1

PET-UNK-bbe8d7ff-1
0.447

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Cc1ccncc1N(CC#N)C(=O)Cc1cccc(Cl)c1

PET-UNK-bbe8d7ff-2
0.447

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NS(=O)(=O)c1ccncc1NC(=O)Cc1cccc(Cl)c1

ALP-POS-95b75b4d-7
0.446

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Cc1ccncc1NC(=O)C1(c2cccc(Cl)c2)CC1

EDG-MED-0da5ad92-11
0.446

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Cc1ccncc1NC(=O)Cc1cccc(C#N)c1

TRY-UNI-714a760b-20
0.446

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Cc1ccncc1NC(=O)C1(c2cccc(Cl)c2)CC1

JAN-GHE-83b26c96-20
0.446

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Cc1ccncc1NC(=O)N(Cc1ccccc1)c1cccc(Cl)c1

EDG-MED-0da5ad92-20
0.444

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

MAK-UNK-f203cb68-3
0.443

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.443

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Cc1ccncc1NC(=O)C(c1ccccc1)c1cccc(Cl)c1

SAM-UNK-2684b532-1
0.442

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Cc1ccncc1NC(=O)Cc1cccc([S+](C)[O-])c1

DAR-DIA-0cde14eb-78
0.440

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O=C(Cc1cccc(Cl)c1)Nc1cncc2cnccc12

MAT-POS-bb423b95-1
0.440

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Cc1ccncc1NC(=O)Cc1cccc(S(N)(=O)=O)c1

EDJ-MED-e58735b6-3
0.440

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O=C(Cc1cccc(Cl)c1)Nc1cncc(Cl)c1Cl

JAN-GHE-5a013bed-10
0.435

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Cc1ccncc1NC(=O)Cc1cccc(C2(C)CC2)c1

DAR-DIA-0cde14eb-1
0.434

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Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.434

View
O=C(Cc1cccc(Cl)c1)Nc1cnccc1-c1ccccc1

MAT-POS-bb423b95-3
0.434

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1-c1ccccc1

ALP-POS-0c2c77e1-1
0.434

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Cc1ccncc1NC(=O)Cc1cccc(OC(F)(F)F)c1

ANN-UNI-98d2bf15-5
0.434

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Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.433

View
Cc1ccncc1NC(=O)C(C(=O)C(C)c1cccc(Cl)c1)c1cnccc1C

MAK-UNK-f203cb68-19
0.432

View
Cc1ccncc1N(C[C@]1(C)C[C@@]1(C)N)C(=O)Cc1cccc(Cl)c1

BAR-COM-ebf5acce-9
0.432

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Cc1ccncc1NCC1CCN(Cc2cccc(Cl)c2)CC1

SAD-SAT-7d5528d9-13
0.432

View
Cc1ncncc1NC(=O)Cc1cccc(Cl)c1

ABI-SAT-4d06482b-2
0.431

View
Cc1ccnc(N)c1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-18
0.431

View
Cc1ccncc1NC(=O)C1(c2cccc(Cl)c2)CC(=O)C1

BAR-COM-0f94fc3d-25
0.429

View
Cc1ccncc1NS(=O)(=O)c1cccc(Cl)c1

JAN-GHE-83b26c96-21
0.429

View
Cc1ccncc1NC(=O)N(c1ccccc1)c1cccc(Cl)c1

SAM-UNK-2684b532-2
0.429

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CC(=O)Nc1cnccc1CC(C(=O)Nc1cnccc1C)c1cccc(Cl)c1

MAK-UNK-f203cb68-1
0.429

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Cc1ccnc(C)c1NC(=O)Cc1cccc(Cl)c1

EDJ-MED-49816e9b-2
0.429

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Cc1[nH]ncc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-21
0.429

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CC(=O)N1CCN(C(C(=O)Nc2cnccc2C)c2cccc(Cl)c2)CC1

VLA-UCB-05e51b3f-2
0.427

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Cc1ccncc1N(CC1(O)CC1)C(=O)Cc1cccc(Cl)c1

BAR-COM-ebf5acce-1
0.425

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CC[C@@H](O)CN(C(=O)Cc1cccc(Cl)c1)c1cnccc1C

BAR-COM-ebf5acce-3
0.425

View
C=CC(=O)NN(C(=O)Cc1cccc(Cl)c1)c1cnccc1C

JAN-GHE-d851b096-1
0.425

View
Cc1cc(N)ncc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-17
0.425

View
Cc1c(N)cncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-3
0.425

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

MAK-UNK-f203cb68-4
0.424

View
Cc1ccncc1NC(=O)Cc1cccc(C2(I)CC2)c1

DAR-DIA-0cde14eb-4
0.423

View
CCC(F)(F)c1cccc(CC(=O)Nc2cnccc2C)c1

DAR-DIA-0cde14eb-77
0.423

View
Cc1cncc(NC(=O)Cc2cccc(Cl)c2)c1

EDG-MED-0da5ad92-12
0.423

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(C(N)=O)c1

RAL-THA-6b94ceba-6
0.421

View
COc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

MAT-POS-c9973a83-1
0.421

View
COc1ccccc1OC[C@H](C(=O)Nc1cnccc1C)c1cccc(Cl)c1

ADA-UCB-6c2cb422-9
0.420

View
O=C(Cc1cccc(Cl)c1)Nc1cnccn1

JAN-GHE-5a013bed-8
0.420

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.733

View
Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

0.633

View
Cc1ccncc1NC(=O)NCc1cccc(Cl)c1

0.633

View
Cc1ccncc1NCc1cccc(Cl)c1

0.622

View
Cc1ccncc1NC(=O)C(C)(C)Cc1cccc(Cl)c1

0.620

View
Cc1ccncc1NC(=O)C(=O)NCc1cccc(Cl)c1

0.620

View
Cc1ccncc1NC(=O)C(C)Cc1cccc(Cl)c1

0.608

View
Cc1ccncc1NC(=O)N(C)Cc1cccc(Cl)c1

0.608

View
Cc1ccncc1NC(=O)NCCc1cccc(Cl)c1

0.608

View
Cc1ccncc1NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1

0.600

View
Cc1ccncc1NC(=O)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1

0.600

View
Cc1ccncc1NC(=O)CSCc1cccc(Cl)c1

0.596

View
Cc1ccncc1NC(=O)C(=O)N(C)Cc1cccc(Cl)c1

0.596

View
Cc1ccncc1NC(=O)C(=O)NCCc1cccc(Cl)c1

0.596

View
Cc1ccncc1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1

0.593

View
Cc1cnccc1NC(=O)Cc1cccc(Cl)c1

0.592

View
Cc1ccncc1NC(=O)C1(Cc2cccc(Cl)c2)CC1

0.585

View
CCN(Cc1cccc(Cl)c1)C(=O)Nc1cnccc1C

0.585

View
Cc1ccncc1NC(=O)NCCCc1cccc(Cl)c1

0.585

View
Cc1ccncc1NC(=O)c1cccc(Cl)c1

0.583

View
Cc1ccncc1NC(=O)N1CCN(Cc2cccc(Cl)c2)CC1

0.574

View
Cc1ccncc1NC(=O)N(Cc1cccc(Cl)c1)C(C)C

0.574

View
Cc1ccncc1NC(=O)NC1(Cc2cccc(Cl)c2)CC1

0.574

View
Cc1ccncc1NC(=O)C(=O)NCCCc1cccc(Cl)c1

0.574

View
Cc1ccncc1NC(=S)Nc1cccc(Cl)c1

0.571

View
Cc1cccc(CC(=O)Nc2cnccc2C)c1

0.571

View
Cc1ccncc1NC(=O)N(CCCO)Cc1cccc(Cl)c1

0.571

View
Cc1ccncc1NC(=O)C(=O)NCC1(Cc2cccc(Cl)c2)CC1

0.571

View
Cc1ccncc1NS(=O)(=O)Cc1cccc(Cl)c1

0.571

View
Cc1ccncc1NC(=O)C1(Cc2cccc(Cl)c2)CCCC1

0.564

View
Cc1ccncc1NC(=O)NCC(O)Cc1cccc(Cl)c1

0.564

View
CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1cnccc1C

0.564

View
Cc1ccncc1NC(=O)C(=O)NCC(C)(C)Cc1cccc(Cl)c1

0.564

View
Cc1ccncc1NC(=O)C(=O)NC1(Cc2cccc(Cl)c2)CC1

0.564

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

0.560

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

0.560

View
Cc1ccncc1NC(=O)CNc1cccc(Cl)c1

0.558

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

0.558

View
Cc1ccncc1NC(=O)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1

0.554

View
Cc1ccncc1NC(=O)C(=O)N(Cc1cccc(Cl)c1)C(C)C

0.554

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

0.549

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

0.549

View
Cc1ccncc1NS(=O)(=O)CCc1cccc(Cl)c1

0.549

View
Cc1ccncc1NC(=O)COc1cccc(Cl)c1

0.547

View
Cc1ccncc1NC(=O)NC(CO)c1cccc(Cl)c1

0.545

View
Cc1ccncc1NC(=O)c1cccc(OCc2cccc(Cl)c2)c1

0.544

View
Cc1ccncc1NC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1

0.544

View
Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)C(=O)Nc1cnccc1C

0.544

View
Cc1ccncc1NC(=O)C(=O)N(Cc1cccc(Cl)c1)CC(C)C

0.544

View
Cc1ccncc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1

0.542

View
Cc1ccncc1NC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1

0.542

View
Cc1ccncc1NC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)C(C)C1

0.541

View
CC(=O)Nc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.538

View
COc1cccc(CC(=O)Nc2cnccc2C)c1

0.538

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

0.538

View
Cc1ccncc1NC(=O)NNc1cccc(Cl)c1

0.538

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

0.537

View
COC(=O)c1cccc(CC(=O)Nc2cnccc2C)c1

0.537

View
Cc1ccncc1NC(=O)CCSc1cccc(Cl)c1

0.537

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

0.536

View
Cc1ccncc1NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1

0.534

View
Cc1ccncc1NC(=O)C(=O)Nc1ccc(C)c(OCc2cccc(Cl)c2)c1

0.534

View
Cc1ccncc1NC(=O)c1ccc(Cl)cc1Cl

0.531

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)cc1

0.531

View
Cc1ccncc1N(C)C(=O)Cc1cccc(Cl)c1

0.529

View
O=C(Cc1cccc(Cl)c1)Nc1cnccc1O

0.529

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)c(Cl)c1

0.529

View
Cc1ccncc1NC(=O)Cc1cccc(C)c1Cl

0.529

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

0.528

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)cc1Br

0.528

View
COCc1cccc(CC(=O)Nc2cnccc2C)c1

0.528

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

0.528

View
Cc1ccncc1NC(=O)C=Cc1cccc(Cl)c1

0.528

View
COc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.528

View
CSc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.528

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

0.528

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

0.528

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

0.528

View
Cc1ccncc1NC(=O)C(=O)NNc1cccc(Cl)c1

0.528

View
Cc1ccncc1NC(=O)CCOc1cccc(Cl)c1

0.527

View
Cc1ccncc1NC(=O)CNC(=O)Nc1cccc(Cl)c1

0.527

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

0.527

View
CCC(NC(=O)Nc1cnccc1C)c1cccc(Cl)c1

0.527

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

0.527

View
Cc1ccncc1NC(=O)NCC1(c2cccc(Cl)c2)CC1

0.526

View
Cc1ccncc1NC(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1

0.526

View
Cc1ccncc1NC(=O)C(=O)NCC1(c2cccc(Cl)c2)CC1

0.526

View
Cc1ccncc1NC(=O)C(=O)N(CCCO)Cc1cccc(Cl)c1

0.525

View
Cc1ccncc1NC(=O)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)C(C)C1

0.524

View
Cc1cnccc1NCc1cccc(Cl)c1

0.521

View
Cc1cnncc1NC(=O)Cc1cccc(Cl)c1

0.520

View
Cc1ccncc1NC(=O)Cc1c(Cl)cccc1Cl

0.520

View
Cc1ccncc1NC(=O)CCc1cccc(CCC(=O)Nc2cnccc2C)c1

0.520

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)cc1Cl

0.519

View
Cc1ccncc1NC(=O)c1cccc(CCl)c1

0.519

View
Cc1ccncc1NC(=O)c1cccc(CO)c1

0.519

View
Cc1ccncc1NC(=O)Cc1cc(Cl)ccc1Cl

0.519

View
Cc1ccc(-c2ccncc2)cc1NC(=O)Cc1cccc(Cl)c1

0.519

View
Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.519

View
Cc1ccncc1NC(=O)C1(c2cccc(Cl)c2)CC1

0.519

View

C(NC1=C(C)C=CN=C1)(=O)CC1=CC=CC(Cl)=C1

0.756

View
C(NC1=C(C)C=CN=C1)(=O)CC1=CC=C(Cl)C=C1

0.728

View
C(NC1=CN=CC(Cl)=C1C)(=O)CC1=CC=CC(Cl)=C1

0.708

View
C(NC1=C(C)C=CN=C1)(=O)CC1=C(Cl)C=CC=C1

0.704

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