Molecule Details

Cc1ccncc1NC(=O)C(C)(C(=O)Nc1cnccc1C)c1cccc(Cl)c1
3-aminopyridine-like
Molecular Properties
SMILES:
Cc1ccncc1NC(=O)C(C)(C(=O)Nc1cnccc1C)c1cccc(Cl)c1
MW: 408.14
Fraction sp3: 0.18
HBA: 4
HBD: 2
Rotatable Bonds: 5
TPSA: 83.98
cLogP: 4.28
Covalent Warhead:
Covalent Fragment:

beta-keto/anhydride

Dye 11

CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8

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

JAN-GHE-83b26c96-22
0.710

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

EDG-MED-0da5ad92-10
0.710

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

JAN-GHE-83b26c96-23
0.662

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

BAR-COM-0f94fc3d-38
0.632

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

MAK-UNK-f203cb68-9
0.587

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Cc1ccncc1NC(=O)Nc1cccc(Cl)c1

JAG-UCB-cedd89ab-8
0.537

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Cc1ccncc1NC(=O)Nc1cccc(Cl)c1

TRY-UNI-714a760b-12
0.537

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.507

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

MAK-UNK-6ca90168-24
0.507

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

EDG-MED-0da5ad92-19
0.500

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

JAN-GHE-83b26c96-9
0.500

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

EDG-MED-0da5ad92-3
0.500

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

EDG-MED-0da5ad92-11
0.493

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

JAN-GHE-83b26c96-20
0.493

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

JAN-GHE-83b26c96-10
0.486

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

TRY-UNI-2eddb1ff-5
0.486

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

TRY-UNI-2eddb1ff-4
0.486

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

JAN-GHE-83b26c96-4
0.486

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

JAN-GHE-83b26c96-5
0.486

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

TRY-UNI-714a760b-18
0.486

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

EDG-MED-0da5ad92-5
0.479

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Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.479

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

BAR-COM-0f94fc3d-25
0.474

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Cc1ccncc1NC(=N)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-6
0.465

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

MAT-POS-1e5f28a7-1
0.461

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

SAM-UNK-2684b532-2
0.455

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

VLA-UCB-05e51b3f-2
0.451

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

MAK-UNK-f203cb68-3
0.450

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

SAM-UNK-2684b532-1
0.449

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

JAN-GHE-83b26c96-8
0.449

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CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.448

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CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.448

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

DAR-DIA-0cde14eb-79
0.447

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Cc1nnc(C(C(=O)Nc2cnccc2C)c2cccc(Cl)c2)s1

TRY-UNI-9f475305-3
0.434

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Cc1nnc(C(C(=O)Nc2cnccc2C)c2cccc(Cl)c2)s1

SAM-UNK-2684b532-3
0.434

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Cc1nnc(N(C(=O)Nc2cnccc2C)c2cccc(Cl)c2)s1

SAM-UNK-2684b532-4
0.434

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.429

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

BEN-DND-93268d01-13
0.425

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

SAD-SAT-7d5528d9-4
0.424

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

MAK-UNK-f203cb68-19
0.422

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

ALP-POS-95b75b4d-3
0.421

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

JAN-GHE-83b26c96-14
0.421

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

DAR-DIA-0cde14eb-76
0.421

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

MAK-UNK-f203cb68-1
0.419

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

EDG-MED-0da5ad92-20
0.417

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

JAN-GHE-83b26c96-21
0.417

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Cc1ccncc1NC(=O)N(CCC1CCCCC1)c1cccc(Cl)c1

MAT-POS-136e7878-1
0.414

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C=CC(=O)Nc1cnccc1C

MAK-UNK-6ca90168-27
0.413

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Cc1ccncc1NC(=O)CCc1nc2cc(Cl)ccc2o1

GAB-REV-70cc3ca5-22
0.412

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

SAD-SAT-7d5528d9-7
0.412

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.411

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.411

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Cc1ccncc1OCCNC(=O)C(C)(C)c1cccc(Cl)c1

WIL-UNI-2e73223c-4
0.410

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Cc1ccncc1NC(=O)c1cncc(NC(=O)C(C)c2cccc(Cl)c2)c1C

MAK-UNK-f203cb68-22
0.409

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Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.409

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Cc1ccncc1NC(=O)Nc1ccccc1

ALE-HEI-f28a35b5-1
0.406

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Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
0.406

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

GAB-REV-70cc3ca5-21
0.403

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Cc1ccncc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1

MAR-TRE-4b834d9a-26
0.402

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

TRY-UNI-2eddb1ff-3
0.400

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Cc1ccncc1NC(=O)c1cc(C)c(NC(=O)C(C)c2cccc(Cl)c2)cn1

MAK-UNK-f203cb68-21
0.398

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

MAK-UNK-f203cb68-4
0.398

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

ADA-UCB-6c2cb422-9
0.396

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Cc1ccncc1NC(=O)Cn1ccc2ccc(Cl)cc21

BAR-COM-0f94fc3d-41
0.395

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

DAR-DIA-0cde14eb-77
0.395

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

JAN-GHE-83b26c96-17
0.395

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

MAT-POS-c9973a83-1
0.392

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

RAL-THA-6b94ceba-6
0.392

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

MAT-POS-590ac91e-13
0.391

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

MAT-POS-590ac91e-11
0.391

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Cc1ccncc1NC(=O)NCCBr

ALE-HEI-f28a35b5-13
0.391

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Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.391

View
Cc1ccncc1NC(=O)Nc1cccc(C#N)c1

TRY-UNI-714a760b-24
0.390

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Cc1nnc(NC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-2
0.389

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

MAT-POS-590ac91e-1
0.388

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

MAT-POS-590ac91e-2
0.388

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

ERI-UCB-5b47150d-1
0.388

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Cc1ccncc1NC(=O)Nc1cccc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-6
0.388

View
Cc1ccncc1CC(=O)Nc1cccc(Cl)c1

EDJ-MED-49816e9b-1
0.387

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Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.387

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.387

View
Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.387

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COc1cc(Cl)cc(OC(=O)Nc2cnccc2C)c1

MAT-POS-6c3d76b3-1
0.385

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COc1cc(Cl)cc(OC(=O)Nc2cnccc2C)c1

MAT-POS-0d6fb2dd-1
0.385

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Cc1ccncc1NC(=O)c1nccc(C)c1NC(=O)C(C)c1cccc(Cl)c1

MAK-UNK-f203cb68-20
0.385

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.382

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.382

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

RIT-AID-a492ba81-1
0.380

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Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.380

View
COc1cccc(C(O)C(=O)Nc2cnccc2C)c1

BAR-COM-0f94fc3d-19
0.380

View
CC(C(=O)Nc1cnccc1C)=C1CC1

ERI-UCB-5b47150d-4
0.377

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

EDG-MED-0da5ad92-1
0.377

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

JAN-GHE-83b26c96-15
0.377

View
Cc1ccncc1NC(=O)CCCCC(=N)N

PET-SGC-6e7c5dc0-1
0.375

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

DAR-DIA-0cde14eb-78
0.375

View
Cc1ccncc1NC(=O)Nc1cccc(C2(C)CC2)c1

DAR-DIA-0cde14eb-5
0.375

View
Cc1ccncc1NC(=O)c1ccc(Cl)cc1C(C)C(=O)Nc1cnccc1C

MAK-UNK-f203cb68-15
0.373

View
CNS(=O)(=O)c1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-14
0.373

View
Cc1ccncc1NC(=O)[C@@H]1CCc2ccc(Cl)cc21

ADA-UCB-6c2cb422-2
0.373

View
COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.372

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

0.822

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

0.766

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

0.729

View
Cc1ccncc1NC(=O)C(C)(C)Oc1cccc(Cl)c1

0.714

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

0.706

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

0.694

View
Cc1cnccc1NC(=O)C(C)(C)c1cccc(Cl)c1

0.673

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

0.673

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

0.673

View
CC(C)(C(=O)Nc1cnccc1O)c1cccc(Cl)c1

0.660

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

0.648

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

0.648

View
Cc1cnccc1NC(=O)C(F)(F)c1cccc(Cl)c1

0.627

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

0.627

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

0.627

View
Cc1ccncc1NC(=O)c1cccc(Cl)c1

0.625

View
Cc1ccncc1NC(=O)C(C)(C)c1ccc(Cl)cc1

0.625

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

0.620

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

0.620

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

0.617

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

0.608

View
O=C(Nc1cnccc1O)C(F)(F)c1cccc(Cl)c1

0.608

View
Cc1ccncc1NC(=O)NCc1cccc(Cl)c1

0.608

View
Cc1ccncc1NC(=O)NNc1cccc(Cl)c1

0.608

View
Cc1ccncc1NC(=O)C(C)(C)c1cccnc1

0.604

View
COc1ccncc1NC(=O)C(C)(C)c1cccc(Cl)c1

0.604

View
Cc1cnccc1NC(=O)C(C)(C)Oc1cccc(Cl)c1

0.604

View
Cc1cnncc1NC(=O)C(C)(C)c1cccc(Cl)c1

0.600

View
Cc1ccncc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1

0.600

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.600

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

0.600

View
Cc1ccncc1NC(=O)C(C)(O)c1ccc(Cl)cc1

0.600

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

0.600

View
CC(C)(C(=O)Nc1ccncc1Br)c1cccc(Cl)c1

0.596

View
CC(C)(C(=O)Nc1ccncc1F)c1cccc(Cl)c1

0.596

View
Cc1ccncc1NC(=O)CNc1cccc(Cl)c1

0.596

View
COc1cccc(C(C)(C)C(=O)Nc2cnccc2C)c1

0.596

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

0.596

View
CC(C)(C(=O)Nc1ccncc1I)c1cccc(Cl)c1

0.596

View
Cc1cnccc1NC(=O)NC(C)(C)c1cccc(Cl)c1

0.596

View
Cc1cccc(C(C)(C)NC(=O)C(=O)Nc2cnccc2C)c1

0.596

View
CCC(O)(C(=O)Nc1cnccc1O)c1cccc(Cl)c1

0.593

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

0.593

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

0.591

View
Cc1ccncc1C(=O)NC(C)(C)c1cccc(Cl)c1

0.588

View
Cc1ccncc1NC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1

0.588

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

0.588

View
COC(C)(C)C(=O)Nc1cnccc1C

0.587

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

0.587

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

0.585

View
Cc1ccncc1NC(=O)C(C)(C)c1ccc(Cl)cc1F

0.585

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

0.585

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

0.585

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

0.585

View
CCC(O)(C(=O)Nc1ccncc1C)c1cccc(Cl)c1

0.582

View
Cc1ccncc1NC(=S)Nc1cccc(Cl)c1

0.580

View
Cc1ccncc1NC(=O)C(F)(F)c1ccc(Cl)cc1

0.580

View
COC(C)(C(=O)Nc1cnccc1C)c1ccccc1

0.580

View
Cc1ccc(Cl)cc1NC(=O)C(C)(C)c1cccnc1

0.577

View
Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

0.577

View
Cc1cc(Cl)ncc1NC(=O)C(C)(C)c1cccc(Cl)c1

0.577

View
Cc1cccc(C(C)(C)NC(=O)Nc2cnccc2C)c1

0.577

View
CC(C)(C(=O)Nc1cccc2ccncc12)c1cccc(Cl)c1

0.574

View
CCc1cnccc1NC(=O)C(C)(C)c1cccc(Cl)c1

0.574

View
CC(=O)Nc1ccncc1NC(=O)C(F)(F)c1cccc(Cl)c1

0.574

View
Cc1cc(C(F)(F)F)ncc1NC(=O)C(C)(C)c1cccc(Cl)c1

0.574

View
CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1cnccc1O

0.574

View
Cc1ccncc1CNC(=O)C(C)(C)c1cccc(Cl)c1

0.574

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

0.574

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

0.574

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

0.574

View
Cc1ccccc1NC(=O)C(C)(C)c1cccc(Cl)c1

0.571

View
Cc1ccncc1NC(=O)c1ccc(Cl)cc1Cl

0.571

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

0.571

View
Cc1ccncc1NC(=O)C(C)(C)c1ccccc1Cl

0.569

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

0.569

View
Cc1ccncc1NC(=O)C(C)(C)Cc1ccc(Cl)cc1

0.569

View
Cc1ncncc1NC(=O)C(C)(C)c1cccc(Cl)c1

0.566

View
Cc1ccncc1N(C)C(=O)C(F)(F)c1cccc(Cl)c1

0.566

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

0.566

View
Cc1ccncc1NC(=O)C(F)(F)c1cc(Cl)ccc1Cl

0.566

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

0.566

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

0.566

View
Cc1cnccc1NC(=O)C(C)(C)Cc1cccc(Cl)c1

0.566

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

0.566

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

0.566

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

0.566

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

0.565

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

0.565

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

0.565

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

0.565

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

0.564

View
COc1ccncc1NC(=O)C(F)(F)c1cccc(Cl)c1

0.564

View
CC(C)(C(=O)Nc1ccnc2ccncc12)c1cccc(Cl)c1

0.564

View
Cc1ccncc1C(C)NC(=O)C(C)(C)c1cccc(Cl)c1

0.564

View
COc1cccc(C(C)(C)NC(=O)C(=O)Nc2cnccc2C)c1

0.564

View
Cc1ccncc1NC(=O)C(=O)Nc1cnn(-c2cccc(Cl)c2)c1C

0.564

View
Cc1ccncc1S(=O)(=O)NC(=O)C(C)(C)c1cccc(Cl)c1

0.564

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

0.562

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

0.561

View

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

0.703

View


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