Molecule Details

Cc1ccnc(N)c1NC(=O)Cc1cccc(Cl)c1
3-aminopyridine-like Assayed
View on Fragalysis x10494
Molecular Properties
SMILES:
Cc1ccnc(N)c1NC(=O)Cc1cccc(Cl)c1
MW: 275.08
Fraction sp3: 0.14
HBA: 3
HBD: 2
Rotatable Bonds: 3
TPSA: 68.01
cLogP: 2.81
Covalent Warhead:
Covalent Fragment:
Activity Data
Average Inhibition @ 20 µM - Fluorescence: 6.437589
Average Inhibition @ 50 µM - Fluorescence: 20.0662
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 0.99
Order Status
Ordered: 2020-05-17
Synthesis Location: enamine
Shipped: 2020-06-16

aniline

O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11

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

EDJ-MED-49816e9b-2
0.741

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.537

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

EDG-MED-0da5ad92-17
0.522

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Cc1ccnnc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-15
0.515

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Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cn1

EDG-MED-0da5ad92-13
0.507

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Cc1ncccc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-14
0.500

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Cc1ccn2cnnc2c1NC(=O)Cc1cccc(Cl)c1

EDJ-MED-c8e7a002-4
0.487

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

EDG-MED-0da5ad92-21
0.485

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Cc1cnncc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-16
0.485

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O=C(Cc1cccc(Cl)c1)Nc1c(Cl)ncn2nnnc12

EDJ-MED-c8e7a002-8
0.480

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

TRY-UNI-714a760b-3
0.479

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Cc1nnn(C)c1NC(=O)Cc1cccc(Cl)c1

EDJ-MED-49816e9b-5
0.478

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Cc1cnn(C)c1NC(=O)Cc1cccc(Cl)c1

EDJ-MED-49816e9b-3
0.478

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O=C(Cc1cccc(Cl)c1)Nc1cnccn1

JAN-GHE-5a013bed-8
0.478

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

PET-UNK-8df914d1-3
0.471

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O=C(Cc1cccc(Cl)c1)Nc1cnns1

JAN-GHE-5a013bed-6
0.470

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O=C(Cc1cccc(Cl)c1)Nc1cncnc1

JAN-GHE-5a013bed-9
0.470

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Cc1ncncc1NC(=O)Cc1cccc(Cl)c1

ABI-SAT-4d06482b-2
0.465

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Cc1nnc(NC(=O)Cc2cccc(Cl)c2)n1C

JAG-UCB-a3ef7265-15
0.464

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1Cl

SAM-UNK-2684b532-13
0.464

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1Cl

ALP-POS-95b75b4d-8
0.464

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O=C(Cc1cccc(Cl)c1)Nc1nncs1

JAN-GHE-5a013bed-7
0.463

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O=C(Cc1cccc(Cl)c1)Nc1nncs1

NAU-LAT-e1818702-10
0.463

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

ANN-UNI-98d2bf15-3
0.458

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1O

ALP-POS-95b75b4d-6
0.457

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

EDG-MED-0da5ad92-12
0.457

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O=C(Cc1cccc(Cl)c1)Nc1nnn[nH]1

JAN-GHE-5a013bed-11
0.456

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O=C(Cc1cccc(Cl)c1)Nc1cccnc1

EDG-MED-0da5ad92-2
0.456

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C=Cc1ncccc1NC(=O)Cc1cccc(Cl)c1

AGN-NEW-c7b24fe3-1
0.452

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

MAT-POS-bb423b95-5
0.446

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

SAM-UNK-2684b532-11
0.446

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Cn1cnnc1NC(=O)Cc1cccc(Cl)c1

JAG-UCB-a3ef7265-17
0.443

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Cn1cnnc1NC(=O)Cc1cccc(Cl)c1

NAU-LAT-e1818702-7
0.443

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Cn1cncc1NC(=O)Cc1cccc(Cl)c1

PET-UNK-8df914d1-4
0.443

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O=C(Cc1cccc(Cl)c1)Nc1nccc2[nH]ncc12

MAT-POS-199e2e7c-2
0.442

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O=C(Cc1cccc(Cl)c1)Nc1c(Cl)ncn2cnnc12

EDJ-MED-c8e7a002-7
0.442

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O=C(Cc1cccc(Cl)c1)Nc1c(Cl)ncn2c(O)nnc12

EDJ-MED-c8e7a002-17
0.442

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

ALP-POS-95b75b4d-7
0.440

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N#Cc1ncccc1NC(=O)Cc1cccc(Cl)c1

AGN-NEW-c7b24fe3-4
0.438

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C#Cc1ncccc1NC(=O)Cc1cccc(Cl)c1

AGN-NEW-c7b24fe3-5
0.438

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O=C(Cc1cccc(Cl)c1)Nc1cn[nH]c1

MIC-UNK-66895286-1
0.435

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

MAK-UNK-6ca90168-23
0.432

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Cc1ccncc1NC(=N)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-6
0.431

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

JAN-GHE-5a013bed-10
0.429

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Cc1nnn(NC(=O)Cc2cccc(Cl)c2)c1C

JAN-GHE-5a013bed-1
0.429

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

SAM-UNK-2684b532-12
0.427

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O=C(Cc1cccc(Cl)c1)Nc1c[nH]c(=O)c2ccccc12

MAT-POS-bb423b95-6
0.421

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O=C(Cc1cccc(Cl)c1)Nc1cccc2[nH]ncc12

VLA-UCB-00f2c2b3-7
0.421

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

JAN-GHE-83b26c96-15
0.419

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

EDG-MED-0da5ad92-1
0.419

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O=C(Cc1cccc(Cl)c1)Nc1n[nH]c2ccnc(Br)c12

EDJ-MED-c8e7a002-15
0.418

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Cn1cc(NC(=O)Cc2cccc(Cl)c2)c2ccccc2c1=O

MAT-POS-4211dce8-1
0.416

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1C1CC1

MAT-POS-bb423b95-4
0.416

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O=C(Cc1cccc(Cl)c1)Nc1cncc2c(Cl)cccc12

MAT-POS-bb423b95-9
0.416

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O=C(Cc1cccc(Cl)c1)Nc1cncc2cnccc12

MAT-POS-bb423b95-1
0.416

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1C1CC1

ALP-POS-95b75b4d-5
0.416

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O=C(Cc1cccc(Cl)c1)Nc1cncc2c1CCCN2

MAT-POS-14ad9fe9-1
0.415

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O=C(Cc1cccc(Cl)c1)Nc1[nH]nc2cccnc12

EDJ-MED-c8e7a002-14
0.410

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

ALP-POS-0c2c77e1-1
0.410

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

MAT-POS-bb423b95-3
0.410

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Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.408

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O=C(Cc1cccc(Cl)c1)Nc1cncc2cccnc12

MAT-POS-bb423b95-2
0.405

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O=C(Cc1cccc(Cl)c1)Nc1cncc2cc(O)ccc12

MAT-POS-bb423b95-8
0.405

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O=C(Cc1cccc(Cl)c1)Nc1cncc2c1CCC2

MAT-POS-199e2e7c-1
0.405

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O=C(Cc1cccc(Cl)c1)Nn1cnnc1

JAN-GHE-5a013bed-5
0.403

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O=C(Cc1cccc(Cl)c1)Nc1n[nH]c2ccccc12

EDJ-MED-c8e7a002-11
0.403

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O=C(Cc1cccc(Cl)c1)Nc1cnc2ccccc2c1

ALP-POS-3b848b35-3
0.403

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O=C(Cc1cccc(Cl)c1)Nc1cncc2ccccc12

ADA-UCB-6c2cb422-1
0.403

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O=C(Cc1cccc(Cl)c1)Nc1cncc2ncccc12

MAT-POS-f7918075-3
0.400

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COc1ccc2n[nH]c(NC(=O)Cc3cccc(Cl)c3)c2c1

EDJ-MED-c8e7a002-2
0.400

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O=C(Cc1cccc(Cl)c1)Nc1cncc2ncccc12

MIC-UNK-08cd9c58-1
0.400

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O=C(Cc1cccc(Cl)c1)Nc1ncn2ccccc12

EDJ-MED-50fe53e8-3
0.397

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O=C(Cc1cccc(Cl)c1)Nc1cccc2cn[nH]c12

EDJ-MED-c8e7a002-12
0.397

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O=C(Cc1cccc(Cl)c1)Nc1cnc2ccccn12

PET-UNK-8df914d1-2
0.397

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O=C(Cc1cccc(Cl)c1)Nc1nncn1C1CC1

NAU-LAT-e1818702-1
0.395

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O=C(Cc1cccc(Cl)c1)Nc1nncn1C1CC1

JAN-GHE-f4ca5a00-12
0.395

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Cc1cc(C(F)(F)F)nc2n[nH]c(NC(=O)Cc3cccc(Cl)c3)c12

EDJ-MED-c8e7a002-5
0.393

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O=C(Cc1cccc(Cl)c1)Nc1ncc2ccccn12

EDJ-MED-50fe53e8-4
0.392

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Cc1nn(C)c2[nH]nc(NC(=O)Cc3cccc(Cl)c3)c12

EDJ-MED-c8e7a002-6
0.390

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O=C(Cc1cccc(Cl)c1)Nc1cncn1C1CC1

PET-UNK-8df914d1-5
0.390

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O=C(Cc1cccc(Cl)c1)Nc1n[nH]c2ccncc12

EDJ-MED-c8e7a002-16
0.388

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O=C(Cc1cccc(Cl)c1)Nc1cncc2ccncc12

MAT-POS-f7918075-5
0.388

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COc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1

EDJ-MED-00c1612e-1
0.386

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COc1ccc2c(NC(=O)Cc3cccc(Cl)c3)noc2c1

EDJ-MED-c8e7a002-1
0.386

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COc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1

PET-UNK-8df914d1-1
0.386

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O=C(Cc1cccc(Cl)c1)Nc1nnc2ccccn12

PET-UNK-e44ffd04-1
0.385

View
O=C(Cc1cccc(Cl)c1)Nc1cncc2nc[nH]c12

MAT-POS-f7918075-8
0.383

View
O=C(Cc1cccc(Cl)c1)Nc1cncc2c1CCCC2

EDJ-MED-a364e151-1
0.383

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Cc1ccncc1N(CNc1ncco1)C(=O)Cc1cccc(Cl)c1

BAR-COM-ebf5acce-7
0.382

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Cc1ccncc1N(C[C@@H](O)CN)C(=O)Cc1cccc(Cl)c1

BAR-COM-ebf5acce-15
0.381

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

EDJ-MED-e58735b6-3
0.380

View
O=C(Cc1cccc(Cl)c1)Nc1cncc2c1CC(=O)N2

MAT-POS-f7918075-7
0.378

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

BAR-COM-ebf5acce-9
0.376

View
O=C(Cc1cccc(Cl)c1)N[C@H]1CCNC1=O

MAT-POS-500ca5bf-2
0.375

View
O=C(Cc1cccc(Cl)c1)Nc1cc(=O)[nH]c2ccccc12

MAT-POS-e1b5ac6b-1
0.375

View
O=C(Cc1cccc(Cl)c1)Nc1cnnc2ccccc12

EDJ-MED-50fe53e8-2
0.375

View
O=C(Cc1cccc(Cl)c1)Nc1nncc2ccccc12

EDJ-MED-50fe53e8-1
0.375

View
O=C(Cc1cccc(Cl)c1)Nc1cnnc2ccccc12

MAT-POS-f7918075-6
0.375

View
O=C(Cc1cccc(Cl)c1)NC1CCNC1=O

ALP-POS-90e38439-2
0.375

View
O=C(Cc1cccc(Cl)c1)Nc1cncc2c1OCO2

EDJ-MED-a364e151-3
0.375

View
Cc1cc(C)c(NC(=O)Cc2cccc(Cl)c2)c(C)n1

0.600

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

0.778

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

0.698

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

0.652

View
Cc1cc(Cl)cc(C)c1NC(=O)Cc1cccc(Cl)c1

0.644

View
Cc1cc(C)c(NC(=O)Cc2cccc(Cl)c2)c(C)c1

0.630

View
O=C(Cc1cccc(Cl)c1)Nc1c(F)ccnc1F

0.625

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

0.625

View
Cc1cccc(F)c1NC(=O)Cc1cccc(Cl)c1

0.625

View
Cc1ccnc(C)c1NC(=O)Cc1cccc(F)c1

0.620

View
Cc1ccnc(NC(=O)Cc2cccc(Cl)c2)n1

0.612

View
Cc1cc(NC(=O)Cc2cccc(Cl)c2)ccn1

0.612

View
Cc1cccc(CC(=O)Nc2c(C)ccnc2C)c1

0.612

View
Cc1ccnc(NC(=O)Cc2cccc(Cl)c2)c1

0.612

View
CCc1cccc(C)c1NC(=O)Cc1cccc(Cl)c1

0.612

View
Cc1cccnc1NC(=O)Cc1cccc(Cl)c1

0.612

View
Cc1ccnc(C)c1NC(=O)CCc1cccc(Cl)c1

0.608

View
Cc1cc(Br)cc(C)c1NC(=O)Cc1cccc(Cl)c1

0.604

View
Cc1ccn2ncnc2c1NC(=O)Cc1cccc(Cl)c1

0.604

View
CSc1cccc(C)c1NC(=O)Cc1cccc(Cl)c1

0.600

View
Cc1nccc(NC(=O)Cc2cccc(Cl)c2)n1

0.600

View
COc1cccc(C)c1NC(=O)Cc1cccc(Cl)c1

0.600

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.600

View
Cc1nccc(NC(=O)Cc2cccc(Cl)c2)c1Cl

0.600

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

0.600

View
O=C(Cc1cccc(Cl)c1)Nc1cc(Cl)ccn1

0.596

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Cc1cc(C)c(NC(=O)Cc2cccc(Cl)c2)c(Cl)c1

0.592

View
Cc1n[nH]c(C)c1NC(=O)Cc1cccc(Cl)c1

0.592

View
Cc1cccc(C)c1NC(=O)CNC(=O)Cc1cccc(Cl)c1

0.592

View
Cc1ccn(C)c(=O)c1NC(=O)Cc1cccc(Cl)c1

0.588

View
Cc1ccc2ccccc2c1NC(=O)Cc1cccc(Cl)c1

0.588

View
Cc1cccc(C)c1NC(=O)Cc1cccc(N)c1

0.587

View
Cc1cc(NC(=O)Cc2cccc(Cl)c2)cn2ccnc12

0.585

View
Cc1cc(C)c(NC(=O)Cc2cccc(Cl)c2)c(Br)c1

0.580

View
Cc1cc(Cl)cnc1NC(=O)Cc1cccc(Cl)c1

0.580

View
Cc1cc(N(C)C)cc(C)c1NC(=O)Cc1cccc(Cl)c1

0.580

View
Cc1ncccc1NC(=O)Cc1cccc(Cl)c1

0.580

View
Cc1ccc(N)cc1NC(=O)Cc1cccc(Cl)c1

0.580

View
COc1cccc(CC(=O)Nc2c(C)ccnc2C)c1

0.577

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Cc1nccc(NC(=O)Cc2cccc(Cl)c2)c1Br

0.577

View
O=C(Cc1cccc(Cl)c1)Nc1ncccn1

0.574

View
Cc1ccnc(C)c1NC(=O)CSCc1cccc(Cl)c1

0.574

View
Cc1ccnc(C)c1NC(=O)COCc1cccc(Cl)c1

0.574

View
CCc1cc(C)cc(CC)c1NC(=O)Cc1cccc(Cl)c1

0.571

View
Cc1ccnc(C)c1NC(=O)Cc1ccc(Cl)cc1

0.571

View
Cc1cnc(NC(=O)Cc2cccc(Cl)c2)nc1

0.571

View
Cc1ncc(NC(=O)Cc2cccc(Cl)c2)cn1

0.571

View
Cc1ccnc(C)c1NC(=O)Cc1ccc(Cl)c(Cl)c1

0.569

View
Cc1ccc(CC(=O)Nc2c(C)ccnc2C)cc1Cl

0.569

View
Cc1cc(NC(=O)Cc2cccc(Cl)c2)cnc1Cl

0.569

View
Cc1cnc(NC(=O)Cc2cccc(Cl)c2)c(C)c1

0.569

View
Cc1cc(NC(=O)Cc2cccc(Cl)c2)c(C)cn1

0.569

View
Cc1noc(C)c1NC(=O)Cc1cccc(Cl)c1

0.569

View
Cc1cnccc1NC(=O)Cc1cccc(Cl)c1

0.569

View
Cc1cccc(CC(=O)Nc2cc(Cl)ccn2)c1

0.569

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

0.569

View
COCc1cccc(CC(=O)Nc2c(C)ccnc2C)c1

0.566

View
COC(=O)c1ccnc(NC(=O)Cc2cccc(Cl)c2)c1

0.566

View
Cc1ccn2cnnc2c1NC(=O)Cc1cccc(Cl)c1

0.564

View
COC(=O)c1ccc(C)c(NC(=O)Cc2cccc(Cl)c2)c1O

0.564

View
Cc1ccccc1NC(=O)Cc1cccc(Cl)c1

0.562

View
CCc1cccc(CC)c1NC(=O)Cc1cccc(Cl)c1

0.562

View
O=C(Cc1cccc(Cl)c1)Nc1c(F)cc(F)cc1F

0.562

View
Cc1cc(Cl)ccc1NC(=O)Cc1cccc(Cl)c1

0.562

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

0.562

View
O=C(Cc1cccc(Cl)c1)Nc1cc(Br)ccn1

0.560

View
Cc1ccnc(C)c1NC(=O)Cc1c(Cl)cccc1Cl

0.560

View
Cc1cnncc1NC(=O)Cc1cccc(Cl)c1

0.560

View
Cc1cc(Cl)cc(C)c1NC(=O)Cc1cccc(F)c1

0.560

View
Cc1cc(Cl)cc(C)c1NC(=O)Cc1cccc(Br)c1

0.560

View
CC(=O)c1c(C)cc(NC(=O)Cc2cccc(Cl)c2)cc1C

0.560

View
Cc1[nH][nH]c(=O)c1NC(=O)Cc1cccc(Cl)c1

0.560

View
COC(=O)c1cccc(CC(=O)Nc2c(C)cccc2Cl)c1

0.558

View
Cc1cc(I)cnc1NC(=O)Cc1cccc(Cl)c1

0.558

View
O=C(Cc1cccc(Cl)c1)Nc1ccnc2cccnc12

0.558

View
Cc1ncc(C)c(NC(=O)Cc2cccc(Cl)c2)n1

0.558

View
Cc1cccc(C)c1NC(=O)CN(C)C(=O)Cc1cccc(Cl)c1

0.558

View
CCn1nc(C)c(NC(=O)Cc2cccc(Cl)c2)c1C

0.558

View
COc1ccnc(NC(=O)Cc2cccc(Cl)c2)c1

0.558

View
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1cccc(Cl)c1

0.556

View
Cc1cccc(OC(F)F)c1NC(=O)Cc1cccc(Cl)c1

0.556

View
Cc1ccnc(C)c1NC(=O)Cc1cccc(C(F)(F)F)c1

0.556

View
Cc1ccnc(C)c1NC(=O)Cc1cccc(C(F)F)c1

0.556

View
O=C(Cc1cccc(Cl)c1)Nc1c(F)cccc1F

0.553

View
Cc1cc(C)nc(NC(=O)Cc2cccc(Cl)c2)n1

0.551

View
Cc1cccc(NC(=O)Cc2cccc(Cl)c2)c1C

0.551

View
O=C(Cc1cccc(Cl)c1)Nc1cccnc1Cl

0.551

View
Cc1cccc(NC(=O)Cc2cccc(Cl)c2)c1Cl

0.551

View
O=C(Cc1cccc(Cl)c1)Nc1ccccn1

0.551

View
Cc1cccc(CC(=O)Nc2c(C)cc(Cl)cc2C)c1

0.551

View
Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1C

0.551

View
Cc1ccnc(C)c1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1

0.550

View
Cc1cc(F)ccc1NC(=O)Cc1cccc(Cl)c1

0.549

View
Cc1cccc(Cl)c1NC(=O)Cc1cccc(F)c1

0.549

View
Cc1cccc(Cl)c1NC(=O)Cc1cccc(Br)c1

0.549

View
Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cn1

0.549

View
Cc1cc(NC(=O)Cc2cccc(Cl)c2)ncn1

0.549

View
Cc1cc(NC(=O)Cc2cccc(Cl)c2)nnc1C

0.549

View
Cc1conc1NC(=O)Cc1cccc(Cl)c1

0.549

View
Cc1nnccc1NC(=O)Cc1cccc(Cl)c1

0.549

View

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

0.863

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

0.819

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

0.799

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

0.798

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

0.786

View


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