Molecule Details

Cc1ccncc1NC(=O)CC(C)(C)c1ccccc1
Enamine Mcule Assayed
Molecular Properties
SMILES:
Cc1ccncc1NC(=O)CC(C)(C)c1ccccc1
MW: 268.16
Fraction sp3: 0.29
HBA: 2
HBD: 1
Rotatable Bonds: 4
TPSA: 41.99
cLogP: 3.7
Covalent Warhead:
Covalent Fragment:
Source
Enamine REAL: Z1129289013
Enamine Extended REAL: s_22____3391102____2163838
Mcule: MCULE-8648220225
Mcule Ultimate: BLCPNJMZJGFGAP-UHFFFAOYSA-N
Activity Data
Average Inhibition @ 20 µM - Fluorescence: 3.577827
Average Inhibition @ 50 µM - Fluorescence: 12.2196925
Average Inhibition @ 50 µM - RapidFire: 11.45414475926
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)Cc1ccccc1

TRY-UNI-714a760b-5
0.548

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Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.542

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.517

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Cc1ccncc1NC(=O)C(CO)c1ccccc1

BEN-DND-93268d01-3
0.493

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Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.492

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Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.492

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

DAR-DIA-0cde14eb-79
0.479

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Cc1ccncc1NC(=O)CCc1ccccc1F

BEN-DND-93268d01-7
0.479

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

DAR-DIA-0cde14eb-76
0.472

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

JAN-GHE-83b26c96-14
0.472

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

ALP-POS-95b75b4d-3
0.472

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Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.471

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Cc1ccncc1NC(=O)CCCCC(=N)N

PET-SGC-6e7c5dc0-1
0.470

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

MAT-POS-590ac91e-11
0.469

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CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.464

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CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.464

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Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.464

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Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.464

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Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
0.462

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Cc1ccncc1NC(=O)Nc1ccccc1

ALE-HEI-f28a35b5-1
0.462

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

DAR-DIA-0cde14eb-77
0.461

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Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.457

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Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.457

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Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.457

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

GAB-REV-70cc3ca5-21
0.456

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Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.456

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Cc1ccncc1NC(=O)C(F)c1ccccc1

ABI-SAT-4d06482b-1
0.456

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Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.456

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Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.456

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Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.456

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Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.455

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

WIL-WAB-6ef46ddb-1
0.455

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

PET-SGC-d5b502b1-1
0.455

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C=CC(=O)Nc1cnccc1C

MAK-UNK-6ca90168-27
0.450

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Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.449

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Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.449

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COCC(C(=O)Nc1cnccc1C)c1ccccc1

BEN-DND-93268d01-2
0.444

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Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.441

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COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.441

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Cc1ccncc1NC(=O)C(C)c1ccccc1

TRY-UNI-714a760b-17
0.441

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Cc1ccncc1NC(=O)C(C)c1ccccc1

AHN-SAT-202241f6-1
0.441

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COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.438

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Cc1ccncc1NC(=O)C(C)Cc1ccccc1

BEN-DND-93268d01-14
0.437

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.437

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Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.437

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Cc1ccncc1NC(=O)CNC1(c2ccccc2)CCCCC1

WAR-XCH-e55cba98-11
0.436

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Cc1ccncc1NC(=O)CC(C)(C)NC(=O)c1cccc2[nH]ccc12

GAB-REV-70cc3ca5-6
0.435

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Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.435

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Cc1ccncc1NC(=O)CC1CC2CC2C1

MAT-POS-590ac91e-23
0.435

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Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.435

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Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.435

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Cc1ccncc1NC(=O)CCNC(=O)c1ccccc1F

PET-SGC-2e937068-1
0.434

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

PED-UNI-5b7f1100-1
0.434

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

PED-UNI-8d53fd73-1
0.434

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

DAN-RED-da448e80-1
0.434

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

DRE-WAB-eb790b7a-1
0.434

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Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.432

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Cc1ccncc1NC(=O)C[C@H](c1ccccc1)N1CCC(O)CC1

ALP-POS-90c18d1d-1
0.432

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Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.431

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

MAK-UNK-372b0df5-3
0.431

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Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.431

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Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.429

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Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.429

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

EDJ-MED-c9f55a56-1
0.429

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Cc1ccncc1NC(=O)CCc1cccc(F)c1

BEN-DND-93268d01-6
0.427

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Cc1ccncc1NC(=O)CN1CCN(C(=O)Nc2ccccc2)CC1

ANU-UNK-2781581f-1
0.425

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Cc1ccncc1NC(=O)CN1CCN(C(=O)Nc2ccccc2)CC1

RED-SAT-26a928c9-1
0.425

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

JAN-GHE-83b26c96-22
0.425

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

EDG-MED-0da5ad92-10
0.425

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Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1

GAB-REV-70cc3ca5-13
0.425

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

MAK-UNK-f203cb68-18
0.425

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

BEN-DND-93268d01-8
0.423

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

MAT-POS-590ac91e-15
0.423

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.423

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.423

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Cc1ccncc1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1

GAB-REV-70cc3ca5-3
0.421

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

DAR-DIA-0cde14eb-78
0.421

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Cc1ccncc1NC(=O)CN1CCCc2ccccc21

BEN-DND-93268d01-12
0.420

View
Cc1ccncc1NC(=O)CNc1ccnc2ccccc12

GAB-REV-70cc3ca5-4
0.418

View
Cc1ccncc1NC(=O)CNc1c[nH]c2ccccc12

GAB-REV-70cc3ca5-17
0.418

View
Cc1ccncc1NC(=O)c1cncc(NC(=O)Nc2ccccc2)c1

MAK-UNK-129dcd6f-16
0.418

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

GAB-REV-70cc3ca5-20
0.417

View
Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.416

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

DAR-DIA-0cde14eb-1
0.416

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

ANN-UNI-98d2bf15-5
0.416

View
Cc1ccncc1NC(=O)Cc1cncc(C#N)c1

TRY-UNI-2eddb1ff-1
0.413

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

ANN-UNI-98d2bf15-2
0.413

View
Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.410

View
Cc1ccncc1NC(=O)Cc1ccccc1Cc1ccccn1

THO-SYG-cc9e9a11-1
0.410

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

DAR-DIA-0cde14eb-2
0.410

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

TRY-UNI-714a760b-20
0.408

View
Cc1ccncc1NC(=O)CC1CCCNC1

EDG-MED-0da5ad92-9
0.405

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

DAR-DIA-0cde14eb-4
0.405

View
Cc1ccncc1NC(=O)Cc1ccccc1-c1ccccn1

THO-SYG-cc9e9a11-2
0.405

View
Cc1ccncc1NC(=O)NCCBr

ALE-HEI-f28a35b5-13
0.403

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

MAT-POS-590ac91e-8
0.403

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

MAT-POS-c9973a83-1
0.403

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

EDJ-MED-e58735b6-3
0.403

View
Cc1ccncc1NC(=O)CCNc1ccc2[nH]ncc2c1

GAB-REV-70cc3ca5-12
0.402

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

ERI-UCB-5b47150d-6
0.400

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

1.000

View
Cc1ccncc1NC(=O)CC(C)(CC(=O)Nc1cnccc1C)c1ccccc1

0.810

View
Cc1cnccc1NC(=O)CC(C)(C)c1ccccc1

0.810

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

0.791

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

0.773

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

0.773

View
CC(C)(CC(=O)Nc1cnccc1O)c1ccccc1

0.750

View
CC(=O)Nc1ccncc1NC(=O)CC(C)(C)c1ccccc1

0.733

View
CC(C)(C)Oc1ccncc1NC(=O)CC(C)(C)c1ccccc1

0.733

View
Cc1cnncc1NC(=O)CC(C)(C)c1ccccc1

0.721

View
CC(C)(CC(=O)Nc1cnccc1C(F)(F)F)c1ccccc1

0.717

View
COc1ccncc1NC(=O)CC(C)(C)c1ccccc1

0.717

View
CSc1ccncc1NC(=O)CC(C)(C)c1ccccc1

0.717

View
CC(C)(CC(=O)Nc1ccncc1Br)c1ccccc1

0.711

View
CC(C)(CC(=O)Nc1ccncc1F)c1ccccc1

0.711

View
CC(C)(CC(=O)Nc1ccncc1I)c1ccccc1

0.711

View
CC(C)(CC(=O)Nc1ccncc1O)c1ccccc1

0.711

View
Cc1ccccc1NC(=O)CC(C)(C)c1ccccc1

0.707

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

0.707

View
CCC(O)(CC(=O)Nc1cnccc1C)c1ccccc1

0.702

View
CC(C)(CC(=O)Nc1ccncc1C#N)c1ccccc1

0.696

View
CCc1cnccc1NC(=O)CC(C)(C)c1ccccc1

0.696

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

0.696

View
CC(C)(CC(=O)Nc1ccnc2ccncc12)c1ccccc1

0.681

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

0.681

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

0.681

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

0.681

View
Cc1nccn1-c1ccncc1NC(=O)CC(C)(C)c1ccccc1

0.680

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

0.674

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

0.674

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

0.674

View
Cc1ncncc1NC(=O)CC(C)(C)c1ccccc1

0.674

View
CC(C)(CC(=O)Nc1cccc2ccncc12)c1ccccc1

0.667

View
Cc1cnn(-c2ccncc2NC(=O)CC(C)(C)c2ccccc2)c1

0.667

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

0.667

View
CC(C)(CC(=O)Nc1cccc2cnccc12)c1ccccc1

0.667

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

0.667

View
CC(C)(CC(=O)Nc1cnccc1-n1cccn1)c1ccccc1

0.660

View
Cc1ccncc1CNC(=O)CC(C)(C)c1ccccc1

0.660

View
Cc1cncc(C)c1NC(=O)CC(C)(C)c1ccccc1

0.659

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

0.659

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

0.659

View
Cc1cc(C(F)(F)F)ncc1NC(=O)CC(C)(C)c1ccccc1

0.653

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

0.653

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

0.653

View
Cc1ccc(O)cc1NC(=O)CC(C)(C)c1ccccc1

0.652

View
Cc1cnccc1NC(=O)CC(C)(CC(=O)Nc1ccncc1C)c1ccccc1

0.652

View
CC(C)(CC(=O)Nc1ccncc1)c1ccccc1

0.651

View
Cc1ccncc1NC(=O)CC(F)(F)F

0.651

View
CN1CCN(c2ccncc2NC(=O)CC(C)(C)c2ccccc2)CC1

0.647

View
Cc1cc(Cl)ncc1NC(=O)CC(C)(C)c1ccccc1

0.646

View
Cc1cc(Br)ncc1NC(=O)CC(C)(C)c1ccccc1

0.646

View
Cc1ccc(C)c(NC(=O)CC(C)(C)c2ccccc2)c1

0.644

View
CC(C)(CC(=O)Nc1cccnc1)c1ccccc1

0.644

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

0.644

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

0.644

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

0.644

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

0.644

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

0.644

View
Cc1cc(NC(=O)CC(C)(C)c2ccccc2)c(C)cn1

0.638

View
CC(C)(CC(=O)Nc1cncc(Cl)c1Cl)c1ccccc1

0.638

View
Cc1cnccc1NC(=O)CCC(C)(C)c1ccccc1

0.638

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

0.638

View
Cc1ccncc1C(C)NC(=O)CC(C)(C)c1ccccc1

0.633

View
Cc1ccncc1CCNC(=O)CC(C)(C)c1ccccc1

0.633

View
Cc1ccncc1S(=O)(=O)NC(=O)CC(C)(C)c1ccccc1

0.633

View
CC(C)(CC(=O)Nc1cnccn1)c1ccccc1

0.630

View
Cc1ccnc(C)c1NC(=O)CC(C)(C)c1ccccc1

0.630

View
Cc1nnccc1NC(=O)CC(C)(C)c1ccccc1

0.630

View
Cc1ncccc1NC(=O)CC(C)(C)c1ccccc1

0.630

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

0.630

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

0.630

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

0.630

View
Cc1cnccc1NC(=O)CC(C)(O)c1ccccc1

0.625

View
Cc1cnccc1CNC(=O)CC(C)(C)c1ccccc1

0.625

View
Cc1cnccc1NC(=O)CC(C)(C)c1ccc(F)cc1

0.625

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

0.625

View
Cc1ccncc1NC(=O)CSc1ccccc1

0.622

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

0.622

View
Cc1cscc1NC(=O)CC(C)(C)c1ccccc1

0.622

View
Cc1cccc(NC(=O)CC(C)(C)c2ccccc2)c1C

0.622

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

0.620

View
Cc1ccc(F)cc1NC(=O)CC(C)(C)c1ccccc1

0.617

View
Cc1ccncc1NC(=O)CNC(=O)c1ccccc1

0.617

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

0.617

View
Cc1ccncc1NC(=O)CC(C)(C)C1CC1

0.617

View
CCC(CC)(C(=O)Nc1cnccc1C)c1ccccc1

0.617

View
Cc1ccncc1NC(=O)CCCCCC(=O)Nc1ccccc1

0.617

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

0.617

View
Cc1c(NC(=O)CC(C)(C)c2ccccc2)cnn1C

0.617

View
Cc1ccc(Cl)cc1NC(=O)CC(C)(C)c1ccccc1

0.617

View
Cc1cc(O)ccc1NC(=O)CC(C)(C)c1ccccc1

0.617

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

0.617

View
Cc1ccc(N)cc1NC(=O)CC(C)(C)c1ccccc1

0.617

View
CC(C)(CC(=O)Nc1ccncc1N1CCOCC1)c1ccccc1

0.615

View
CC(C)(CC(=O)Nc1cncc(Cl)c1Br)c1ccccc1

0.612

View
CC(C)(CC(=O)Nc1nccc2ccncc12)c1ccccc1

0.612

View
CCC(C)(NC(=O)Nc1cnccc1C)c1ccccc1

0.612

View
Cc1ccc(NC(=O)CC(C)(C)c2ccccc2)c(C)c1

0.609

View
Cc1ccncc1NC(=O)CCc1ccccc1

0.609

View

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

1.000

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

0.964

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

0.904

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

0.902

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

0.897

View


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