Molecule Details

Cc1ccncc1NC(=O)C(C)CC1CC1
Enamine Assayed
Molecular Properties
SMILES:
Cc1ccncc1NC(=O)C(C)CC1CC1
MW: 218.14
Fraction sp3: 0.54
HBA: 2
HBD: 1
Rotatable Bonds: 4
TPSA: 41.99
cLogP: 2.76
Covalent Warhead:
Covalent Fragment:
Source
Enamine REAL: Z3471768117
Enamine Extended REAL: s_22____3391102____15349774
Activity Data
Average Inhibition @ 20 µM - Fluorescence: -2.3653105
Average Inhibition @ 50 µM - Fluorescence: 2.12211095
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 1.0
Order Status
Ordered: 2020-05-17
Synthesis Location: enamine
Shipped: 2020-06-16
CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

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

MAT-POS-590ac91e-14
0.623

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Cc1ccncc1NC(=O)C(C)C1CCCCC1

TRY-UNI-714a760b-16
0.565

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Cc1ccncc1NC(=O)C(C)Cc1ccccc1

BEN-DND-93268d01-14
0.556

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

ERI-UCB-5b47150d-1
0.554

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

MAT-POS-590ac91e-2
0.554

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

MAT-POS-590ac91e-1
0.554

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

MAT-POS-590ac91e-13
0.525

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

MAT-POS-590ac91e-16
0.517

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

MAT-POS-5d20d11c-1
0.517

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Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.516

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C=CC(=O)Nc1cnccc1C

MAK-UNK-6ca90168-27
0.509

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CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.500

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CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.500

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Cc1ccncc1NC(=O)C(C)c1ccccc1

AHN-SAT-202241f6-1
0.492

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Cc1ccncc1NC(=O)C(C)c1ccccc1

TRY-UNI-714a760b-17
0.492

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Cc1ccncc1NC(=O)NC1CCCCC1

ALE-HEI-f28a35b5-7
0.492

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Cc1ccncc1NC(=O)NC1CCCCC1

TRY-UNI-714a760b-11
0.492

View
Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.484

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Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.484

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Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.484

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Cc1ccncc1NC(=O)C(CO)c1ccccc1

BEN-DND-93268d01-3
0.477

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Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.475

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

MAT-POS-590ac91e-11
0.475

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Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.475

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.474

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

ERI-UCB-5b47150d-6
0.469

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Cc1ccncc1NC(=O)C(F)c1ccccc1

ABI-SAT-4d06482b-1
0.462

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Cc1ccncc1NC(=O)CC1CC2CC2C1

MAT-POS-590ac91e-23
0.462

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Cc1ccncc1NC(=O)C1CCC12CCC2

MAT-POS-590ac91e-22
0.462

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

TRY-UNI-2eddb1ff-3
0.456

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Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.455

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Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.455

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

MAT-POS-590ac91e-19
0.453

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Cc1ccncc1NC(=O)C1CC(C2CC2)C1

MAT-POS-590ac91e-18
0.453

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Cc1ccncc1NC(=O)NCCBr

ALE-HEI-f28a35b5-13
0.452

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COCC(C(=O)Nc1cnccc1C)c1ccccc1

BEN-DND-93268d01-2
0.449

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Cc1ccncc1NC(=O)CC1CCCNC1

EDG-MED-0da5ad92-9
0.449

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

BEN-DND-93268d01-8
0.448

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COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.446

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

JAN-GHE-83b26c96-4
0.443

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

TRY-UNI-2eddb1ff-4
0.443

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

TRY-UNI-2eddb1ff-5
0.443

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

JAN-GHE-83b26c96-5
0.443

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

TRY-UNI-714a760b-18
0.443

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Cc1ccncc1NC(=O)[C@@H](c1ccsc1)N1CCC(O)CC1

MIH-UNI-6b9ca91a-2
0.442

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Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.439

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Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.439

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Cc1ccncc1NC(=O)[C@H](CNS(C)(=O)=O)c1ccccc1

DAN-RED-da448e80-1
0.438

View
Cc1ccncc1NC(=O)[C@@H](CNS(C)(=O)=O)c1ccccc1

PED-UNI-8d53fd73-1
0.438

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Cc1ccncc1NC(=O)[C@@H](CNS(C)(=O)=O)c1ccccc1

PED-UNI-5b7f1100-1
0.438

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Cc1ccncc1NC(=O)C(CNS(C)(=O)=O)c1ccccc1

DRE-WAB-eb790b7a-1
0.438

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

EDG-MED-0da5ad92-5
0.437

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

JAN-GHE-83b26c96-9
0.437

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Cc1ccncc1NC(=O)C(CN1CCC(O)CC1)c1ccccc1

SAM-UNK-2684b532-10
0.436

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CC(C(=O)Nc1cnccc1C)=C1CC1

ERI-UCB-5b47150d-4
0.435

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Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.433

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Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.433

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Cc1ccncc1NC(=O)[C@H](CNS(C)(=O)=O)c1cccs1

DAN-RED-da448e80-17
0.432

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Cc1ccncc1NC(=O)C(C)c1cnn(C2(C)CC2)c1

DAR-DIA-0cde14eb-70
0.432

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Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.431

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Cc1ccncc1NC(=O)CCCCC(=N)N

PET-SGC-6e7c5dc0-1
0.431

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Cc1ccncc1NC(=O)[C@H](CNS(C)(=O)=O)c1ccc(F)cc1

DAN-RED-da448e80-5
0.427

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Cc1ccncc1NC(=O)[C@H](CNS(C)(=O)=O)c1ccc(Cl)cc1

DAN-RED-da448e80-9
0.427

View
Cc1ccncc1NC(=O)C(C)c1cnn(C2(F)CC2)c1

DAR-DIA-0cde14eb-72
0.427

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

MAK-UNK-372b0df5-2
0.427

View
Cc1ccncc1NC(=O)C(C)c1cnn(C2(I)CC2)c1

DAR-DIA-0cde14eb-73
0.427

View
Cc1ccncc1NC(=O)c1cc(Cl)cc(C(C)C(=O)Nc2cnccc2C)c1

MAK-UNK-f203cb68-16
0.427

View
Cc1ccncc1NC(=O)NCCCC(N)N

ALE-HEI-f28a35b5-11
0.426

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

MAT-POS-590ac91e-8
0.426

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Cc1ccncc1NC(=O)C1CCC2(CC2)C1

MAT-POS-590ac91e-21
0.426

View
Cc1ccncc1NC(=O)CC12CCCC1C2

MAT-POS-590ac91e-25
0.423

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Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
0.422

View
Cc1ccncc1NC(=O)Nc1ccccc1

ALE-HEI-f28a35b5-1
0.422

View
Cc1ccncc1NC(=O)C(C)c1cccc(C2(C)CC2)c1

DAR-DIA-0cde14eb-10
0.421

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Cc1ccncc1NC(=O)C(C)c1cnn(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-71
0.421

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Cc1ccncc1NC(=O)c1c(Cl)cccc1C(C)C(=O)Nc1cnccc1C

MAK-UNK-f203cb68-14
0.421

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CC(=O)N1CCN(C(C(=O)Nc2cnccc2C)c2cccs2)CC1

MAK-UNK-902cc841-15
0.421

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

TRY-UNI-714a760b-22
0.419

View
Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.419

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

MAT-POS-1e5f28a7-1
0.419

View
Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.418

View
Cc1ccncc1NC(=O)C1CC(C2CC2Cl)C1

DAR-DIA-6a508060-12
0.418

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

MAT-POS-590ac91e-12
0.418

View
COc1ccc([C@@H](CNS(C)(=O)=O)C(=O)Nc2cnccc2C)cc1

DAN-RED-da448e80-13
0.416

View
Cc1ccncc1NC(=O)C(C)c1cccc(C2(F)CC2)c1

DAR-DIA-0cde14eb-12
0.416

View
Cc1ccncc1NC(=O)C(C)c1cccc(C2(I)CC2)c1

DAR-DIA-0cde14eb-13
0.416

View
Cc1ccncc1NC(=O)C(C)c1cccc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-11
0.416

View
CC(=O)N1CCN(C(C(=O)Nc2cnccc2C)c2ccsc2)CC1

MAK-UNK-902cc841-17
0.416

View
Cc1ccncc1NC(=O)N1CCN(C)CC1

SCO-VAN-260d9628-1
0.415

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.415

View
Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.415

View
Cc1ccncc1NC(=O)N1CCN(C)CC1

ALE-HEI-f28a35b5-17
0.415

View
Cc1ccncc1NC(=O)C(C)c1cc(Cl)cc(OC2CC(=O)N2)c1

TRY-UNI-2eddb1ff-8
0.415

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

MAT-POS-590ac91e-27
0.414

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

MAT-POS-590ac91e-26
0.412

View
Cc1ccncc1NC(=O)C12CC(CO1)C2

MAT-POS-590ac91e-4
0.412

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

BAR-COM-0f94fc3d-19
0.411

View
Cc1ccncc1NC(=O)C1C2CCOCC21

MAT-POS-590ac91e-28
0.408

View
Cc1ccncc1NC(=O)C12CCC(CO1)C2

MAT-POS-590ac91e-29
0.408

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

JAN-GHE-83b26c96-8
0.408

View
Cc1ccncc1NC(=O)C(C)CC1CCCC1

0.925

View
Cc1ccncc1NC(=O)C(C)CC1CCC1

0.925

View
Cc1ccncc1NC(=O)C(C)CC1CCCCC1

0.902

View
Cc1ccncc1NC(=O)C(N)CC1CC1

0.810

View
Cc1cnccc1NC(=O)C(C)CC1CCC1

0.750

View
Cc1cnccc1NC(=O)C(C)CC1CCCC1

0.750

View
Cc1cnccc1NC(=O)C(C)CC1CCCCC1

0.733

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

0.725

View
Cc1ccncc1NC(=O)C(CC1CCCCC1)C(C)C

0.717

View
Cc1ccncc1NC(=O)[C@@H](N)CC1CCCCC1

0.717

View
Cc1ccncc1NC(=O)C(N)CC1CCCCC1

0.717

View
Cc1ccncc1NC(=O)NC(C)CC1CC1

0.711

View
CCC(C)C(=O)Nc1cnccc1C

0.707

View
CC(CC1CCCC1)C(=O)Nc1cnccc1O

0.696

View
CC(CC1CCC1)C(=O)Nc1cnccc1O

0.696

View
Cc1ccncc1NC(=O)C(C)OCC1CC1

0.696

View
Cc1ccncc1NC(=O)C(=O)NC(C)CC1CC1

0.696

View
Cc1ccncc1NC(=O)C(C)CN

0.690

View
CC(=O)Nc1ccncc1NC(=O)C(C)CC1CCCC1

0.681

View
CC(CC1CCCCC1)C(=O)Nc1cnccc1O

0.681

View
CCC(CC1CCCC1)C(=O)Nc1cnccc1C

0.681

View
Cc1ccncc1NC(=O)C(F)CC1CCCCC1

0.681

View
CCCC(C)C(=O)Nc1cnccc1C

0.674

View
Cc1ccncc1NC(=O)C(C)C1CC1

0.674

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

0.674

View
CNCC(C)C(=O)Nc1cnccc1C

0.674

View
CC(=O)Nc1ccncc1NC(=O)C(C)CC1CCCCC1

0.667

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

0.667

View
CCC(CC1CCCCC1)C(=O)Nc1cnccc1C

0.667

View
Cc1ccncc1NC(=O)C(C1CC1)C1CC1

0.667

View
COc1ccncc1NC(=O)C(C)CC1CCCC1

0.667

View
COc1ccncc1NC(=O)C(C)CC1CCC1

0.667

View
CSc1ccncc1NC(=O)C(C)CC1CCCC1

0.667

View
CSc1ccncc1NC(=O)C(C)CC1CCC1

0.667

View
Cc1ccncc1NC(=O)C(CN)CC1CCCC1

0.667

View
CC(CC1CCCC1)C(=O)Nc1ccncc1Br

0.660

View
CC(CC1CCCC1)C(=O)Nc1ccncc1F

0.660

View
CC(CC1CCCC1)C(=O)Nc1ccncc1I

0.660

View
CC(CC1CCC1)C(=O)Nc1ccncc1I

0.660

View
CC(CC1CCCC1)C(=O)Nc1ccncc1O

0.660

View
COCC(C)C(=O)Nc1cnccc1C

0.659

View
CSCC(C)C(=O)Nc1cnccc1C

0.659

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

0.659

View
Cc1ccncc1NC(=O)C(C)Cc1ccncc1

0.659

View
Cc1ccncc1NC(=O)C(C)CCN

0.659

View
CC(CC1CCCC1)C(=O)Nc1cnccc1C(F)(F)F

0.653

View
CCCC(CC1CCCC1)C(=O)Nc1cnccc1C

0.653

View
CC(=O)N[C@H](CC1CCC1)C(=O)Nc1cnccc1C

0.653

View
COc1ccncc1NC(=O)C(C)CC1CCCCC1

0.653

View
Cc1cnccc1NC(=O)C(N)CC1CC1

0.652

View
Cc1ccncc1NC(=O)CC1CC1

0.651

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

0.650

View
CC(CC1CCCCC1)C(=O)Nc1ccncc1Br

0.646

View
CC(CC1CCCCC1)C(=O)Nc1ccncc1F

0.646

View
CCc1cnccc1NC(=O)C(C)CC1CCCC1

0.646

View
CC(CC1CCCCC1)C(=O)Nc1ccncc1I

0.646

View
CC(CC1CCCCC1)C(=O)Nc1ccncc1O

0.646

View
Cc1ccncc1NC(=O)N1CCC(CC(C)C)CC1

0.646

View
Cc1ccncc1NC(=O)NC(C)CC1CCC1

0.646

View
Cc1cnncc1NC(=O)C(C)CC1CCCC1

0.644

View
CCCCC(C)C(=O)Nc1cnccc1C

0.644

View
Cc1ccncc1NC(=O)C(C)C1CCC1

0.644

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

0.644

View
Cc1ccncc1NC(=O)C(C)C1CCCC1

0.644

View
Cc1ccncc1NC(=O)C(C)NC1CC1

0.644

View
CC(CC1CCCC1)C(=O)Nc1cnccc1-c1ccccc1

0.640

View
CCCC(CC1CCCCC1)C(=O)Nc1cnccc1C

0.640

View
Cc1ccncc1NC(=O)C(C1CCC1)C1CCC1

0.636

View
Cc1ccncc1NC(=O)NCC1CC1

0.636

View
Cc1ccncc1NC(=O)C(N)C1CC1

0.636

View
Cc1ccncc1NC(=O)C(CC1CC1)NC(=O)OC(C)(C)C

0.635

View
Cc1nccn1-c1ccncc1NC(=O)C(C)CC1CCCC1

0.635

View
Cc1nccn1-c1ccncc1NC(=O)C(C)CC1CCC1

0.635

View
CC(CC1CCCC1)C(=O)Nc1ccncc1C#N

0.633

View
CCc1cnccc1NC(=O)C(C)CC1CCCCC1

0.633

View
Cc1ccncc1NC(=O)NC(CO)CC1CC1

0.633

View
Cc1ccncc1NC(=O)N[C@H](C)CC1CCCCC1

0.633

View
Cc1ccncc1NC(=O)N[C@@H](C)CC1CCCCC1

0.633

View
Cc1ccncc1NC(=O)C(=O)NC(C)CC1CCC1

0.633

View
Cc1cnncc1NC(=O)C(C)CC1CCCCC1

0.630

View
Cc1ccncc1NC(=O)C(C)Cc1ccccc1

0.630

View
Cc1ccncc1NC(=O)C(C)N1C(C)CCC1C

0.630

View
Cc1ccncc1NC(=O)[C@H](C)Cc1ccccc1

0.630

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

0.630

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

0.630

View
CC(CC1CCCC1)C(=O)Nc1cnccc1N1CCN(C)CC1

0.627

View
CC(CC1CCC1)C(=O)Nc1cnccc1N1CCN(C)CC1

0.627

View
Cc1ccncc1NC(=O)C(N)CC1CCOC1

0.627

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

0.625

View
Cc1ccncc1NC(=O)NC(C)CCC1CC1

0.625

View
Cc1cnn(-c2ccncc2NC(=O)C(C)CC2CCCC2)c1

0.623

View
Cc1nccn1-c1ccncc1NC(=O)C(C)CC1CCCCC1

0.623

View
Cc1ccccc1NC(=O)C(C)CC1CCCC1

0.622

View
Cc1ccccc1NC(=O)C(C)CC1CCC1

0.622

View
Cc1ccncc1NC(=O)C(O)C1CC1

0.622

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

0.622

View
Cc1ccncc1NC(=O)CCC1CC1

0.622

View
Cc1ccncc1NC(=O)C(C(=O)Nc1cnccc1C)C1CCC1

0.622

View
CC(CC1CCCCC1)C(=O)Nc1ccncc1C#N

0.620

View
Cc1ccncc1NC(=O)N1CCC(CC(C)O)CC1

0.620

View
O=C(CC1CC1)Nc1cnccc1CO

0.197

View
O=C(Nc1cccnc1)C1CCCC(C(=O)Nc2cccnc2)C1

0.197

View
O=C(CCC1CCCC1)Nc1cccnc1

0.197

View
O=C(CCC1CCCCC1)Nc1cccnc1

0.197

View
CC1(C)C(C(=O)Nc2cccnc2)C1(C)C

0.197

View
CC(C)CC1(C(=O)Nc2cccnc2)CCC1

0.191

View
O=C(Nc1cccnc1)C1CCCCC1

0.189

View
O=C(Nc1cccnc1)C1C2CCCC21

0.188

View
Cc1ccncc1NC(=O)C1CC(F)(F)C1

0.185

View
O=C(Nc1cccnc1)C1CC12CCCC2

0.182

View
O=C(Nc1cccnc1)C12CC3CC(CC(C3)C1)C2

0.179

View
CC12CC3CC(C)(C1)CC(C(=O)Nc1cccnc1)(C3)C2

0.179

View
O=C(Nc1cccnc1)C1CCCC1

0.177

View
O=C(Nc1cccnc1)C1CC12CCCCC2

0.176

View
CCCCC(CC)C(=O)Nc1cccnc1

0.171

View
CCC(C)C(C)C(=O)Nc1cnccc1CO

0.169

View
CC(=O)CCCC(=O)Nc1cnccc1C

0.134

View
CC1(C)C[C@@H]1C(=O)Nc1cnccc1CO

0.134

View
Cc1ccncc1NC(=O)C1(C#N)CCCC1

0.133

View
Cc1ccncc1NC(=O)CCC1CCCC1

0.083

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

0.917

View
C(NC1=C(C)C=CN=C1)(=O)C1CCCC1

0.895

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

0.883

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

0.883

View
C(NC1=C(C)C=CN=C1)(=O)C1CCCCC1

0.883

View


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