Molecule Details

CC(=O)N[C@@H](C)C(=O)Nc1cnccc1C
Ugi Enamine Mcule Assayed
Molecular Properties
SMILES:
CC(=O)N[C@@H](C)C(=O)Nc1cnccc1C
MW: 221.12
Fraction sp3: 0.36
HBA: 3
HBD: 2
Rotatable Bonds: 3
TPSA: 71.09
cLogP: 0.85
Covalent Warhead:
Covalent Fragment:
Source
Enamine REAL: s_22____3391102____17512206
Enamine Extended REAL: s_22____3391102____17512206
Mcule: MCULE-6547848409
Activity Data
Average Inhibition @ 20 µM - Fluorescence: -12.30213
Average Inhibition @ 50 µM - Fluorescence: -7.9148855
Average Inhibition @ 50 µM - RapidFire: -0.127232951266215
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 1.0
Order Status
Ordered: 2020-05-17
Synthesis Location: enamine
Shipped: 2020-06-30

Dipeptide

CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

View

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

ERI-UCB-5b47150d-1
0.694

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

MAT-POS-590ac91e-1
0.694

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

MAT-POS-590ac91e-2
0.694

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

MAT-POS-590ac91e-16
0.611

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

MAT-POS-5d20d11c-1
0.611

View
CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.609

View
CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.609

View
Cc1ccncc1NC(=O)C(C)c1ccccc1

AHN-SAT-202241f6-1
0.525

View
Cc1ccncc1NC(=O)C(C)CC1CC1

MAT-POS-590ac91e-5
0.525

View
Cc1ccncc1NC(=O)C(C)c1ccccc1

TRY-UNI-714a760b-17
0.525

View
Cc1ccncc1NC(=O)C(C)C1CCCCC1

TRY-UNI-714a760b-16
0.525

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

TRY-UNI-2eddb1ff-3
0.508

View
Cc1ccncc1NC(=O)C(C)Cc1ccccc1

BEN-DND-93268d01-14
0.492

View
Cc1ccncc1NC(=O)C(F)c1ccccc1

ABI-SAT-4d06482b-1
0.492

View
C=CC(=O)Nc1cnccc1C

MAK-UNK-6ca90168-27
0.491

View
Cc1ccncc1NC(=O)C(CO)c1ccccc1

BEN-DND-93268d01-3
0.484

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

MAT-POS-590ac91e-11
0.483

View
Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.482

View
Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.481

View
COCC(C(=O)Nc1cnccc1C)c1ccccc1

BEN-DND-93268d01-2
0.477

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

TRY-UNI-714a760b-18
0.470

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

JAN-GHE-83b26c96-4
0.470

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

TRY-UNI-2eddb1ff-5
0.470

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

JAN-GHE-83b26c96-5
0.470

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

TRY-UNI-2eddb1ff-4
0.470

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

ERI-UCB-5b47150d-4
0.466

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

EDG-MED-0da5ad92-5
0.463

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

JAN-GHE-83b26c96-9
0.463

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

MAT-POS-590ac91e-14
0.462

View
Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.459

View
Cc1ccncc1NC(=O)NCCBr

ALE-HEI-f28a35b5-13
0.458

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

BAR-COM-0f94fc3d-19
0.456

View
CC(=O)Nc1cnccc1-c1ccc(Cl)cc1C(C)C(=O)Nc1cnccc1C

MAK-UNK-f203cb68-6
0.453

View
Cc1ccncc1NC(=O)NC1CCCCC1

TRY-UNI-714a760b-11
0.452

View
Cc1ccncc1NC(=O)NC1CCCCC1

ALE-HEI-f28a35b5-7
0.452

View
Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.452

View
Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
0.450

View
Cc1ccncc1NC(=O)Nc1ccccc1

ALE-HEI-f28a35b5-1
0.450

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

GAB-REV-70cc3ca5-21
0.444

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

TRY-UNI-714a760b-22
0.443

View
CC(=O)Nc1cnccc1-c1cc(Cl)cc(C(C)C(=O)Nc2cnccc2C)c1

MAK-UNK-f203cb68-7
0.442

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

MAK-UNK-902cc841-17
0.438

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

DAR-DIA-0cde14eb-70
0.437

View
CC(=O)Nc1cnccc1-c1ccc(C(C)C(=O)Nc2cnccc2C)cc1Cl

MAK-UNK-f203cb68-8
0.434

View
Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.433

View
Cc1ccncc1NC(=O)NCCCC(N)N

ALE-HEI-f28a35b5-11
0.431

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

BEN-DND-93268d01-8
0.431

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

DAR-DIA-0cde14eb-73
0.431

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

MAK-UNK-f203cb68-16
0.431

View
Cc1ccncc1NC(=O)c1ccc(C(C)C(=O)Nc2cnccc2C)cc1Cl

MAK-UNK-f203cb68-17
0.431

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

SAM-UNK-2684b532-1
0.431

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

DAR-DIA-0cde14eb-72
0.431

View
COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.429

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

JAN-GHE-83b26c96-10
0.429

View
CC(=O)Nc1cnccc1-c1c(Cl)cccc1C(C)C(=O)Nc1cnccc1C

MAK-UNK-f203cb68-5
0.429

View
Cc1nnc(NC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-2
0.429

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

MAK-UNK-902cc841-15
0.425

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

DAR-DIA-0cde14eb-10
0.425

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

DAR-DIA-0cde14eb-71
0.425

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

MAK-UNK-f203cb68-15
0.425

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

MAK-UNK-f203cb68-14
0.425

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

MAT-POS-1e5f28a7-1
0.423

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

DRE-WAB-eb790b7a-1
0.423

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

PED-UNI-5b7f1100-1
0.423

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

PED-UNI-8d53fd73-1
0.423

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

DAN-RED-da448e80-1
0.423

View
Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.422

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.419

View
Cc1ccncc1NC(=O)N1CCN(C)CC1

ALE-HEI-f28a35b5-17
0.419

View
Cc1ccncc1NC(=O)N1CCN(C)CC1

SCO-VAN-260d9628-1
0.419

View
Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.419

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

DAR-DIA-0cde14eb-12
0.419

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

DAR-DIA-0cde14eb-13
0.419

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

DAR-DIA-0cde14eb-11
0.419

View
COc1ccc(Br)cc1C(N)C(=O)Nc1cnccc1C

BAR-COM-0f94fc3d-58
0.417

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

DAN-RED-da448e80-17
0.417

View
Cc1ccncc1NC(=O)C12CC(CO1)C2

MAT-POS-590ac91e-4
0.415

View
Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.415

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

MAK-UNK-f203cb68-3
0.413

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

PET-SGC-6e7c5dc0-1
0.413

View
Cc1ccncc1NC(=O)C1CC(C2CC2)C1

MAT-POS-590ac91e-18
0.413

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

MAT-POS-590ac91e-19
0.413

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

DAN-RED-da448e80-5
0.411

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

DAN-RED-da448e80-9
0.411

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

JAN-GHE-83b26c96-8
0.411

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.409

View
Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.409

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

MAT-POS-590ac91e-15
0.409

View
Cc1ccncc1NC(=O)Nc1cccc(Cl)c1

JAG-UCB-cedd89ab-8
0.409

View
Cc1ccncc1NC(=O)Nc1cccc(Cl)c1

TRY-UNI-714a760b-12
0.409

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.409

View
Cc1ccncc1NC(=O)C(C)c1cnn(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-75
0.408

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

MIH-UNI-6b9ca91a-2
0.408

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

ERI-UCB-5b47150d-6
0.406

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

TRY-UNI-714a760b-24
0.406

View
Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.403

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

MAK-UNK-6ca90168-24
0.403

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

DAR-DIA-0cde14eb-15
0.403

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

MAK-UNK-f203cb68-19
0.403

View
Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.400

View
Cc1ccncc1NC(=O)C(C)NC(=O)Nc1ccccc1

0.682

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

0.682

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

1.000

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

0.795

View
CC(=O)NC(C)C(=O)Nc1ccncc1C

0.789

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

0.769

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

0.769

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

0.750

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

0.750

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

0.750

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

0.750

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

0.750

View
CNC(=O)NC(C)C(=O)Nc1cnccc1C

0.750

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

0.744

View
Cc1ccncc1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C

0.738

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

0.738

View
Cc1ccncc1NC(=O)[C@H](C)NC(=O)OC(C)(C)C

0.738

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

0.737

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

0.737

View
CNC(C)C(=O)Nc1cnccc1C

0.737

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

0.732

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

0.725

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

0.714

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

0.714

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

0.714

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

0.707

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

0.703

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

0.700

View
CC(=O)NC(C)C(=O)Nc1ccc(NC(=O)C(C)NC(C)=O)c2cnccc12

0.700

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

0.698

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

0.690

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

0.690

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

0.690

View
COc1ccncc1NC(=O)C(C)NC(C)=O

0.690

View
CSc1ccncc1NC(=O)C(C)NC(C)=O

0.690

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

0.683

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

0.683

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

0.683

View
CNC(=O)[C@H](C)NC(=O)Nc1cnccc1C

0.683

View
CNC(=O)[C@@H](C)NC(=O)Nc1cnccc1C

0.683

View
CCNC(C)C(=O)Nc1cnccc1C

0.683

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

0.682

View
CC(=O)NC(C)C(=O)Nc1cnccc1OC(C)(C)C

0.674

View
CC(=O)NC(C)C(=O)Nc1cnncc1C

0.667

View
CC(=O)NC(C)C(=O)Nc1ccncc1C(=O)C(C)C

0.667

View
Cc1ccncc1NC(=O)C(C)O

0.667

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

0.667

View
Cc1ccncc1NC(=O)C(C)NC(=O)C1CCCC1

0.667

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

0.667

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

0.667

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

0.667

View
CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cnccc1C

0.667

View
CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cnccc1C

0.667

View
Cc1ccncc1NC(=O)C(C)N

0.667

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

0.667

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

0.667

View
Cc1ccncc1NC(=O)[C@H](C)NC(=O)OCc1ccccc1

0.660

View
CC(=O)NC(C)C(=O)Nc1cc(-c2ccncc2)ccc1C

0.659

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

0.659

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

0.659

View
Cc1ccncc1NC(=O)C(F)F

0.658

View
Cc1ccncc1NC(=O)C(C)NC(=O)c1ccco1

0.652

View
Cc1ccncc1NC(=O)C(C)NC(=O)c1cccs1

0.652

View
Cc1ccncc1NC(=O)C(C)NC(=O)C1CCCCC1

0.652

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

0.652

View
CC(=O)NC(C)C(=O)Nc1cnccc1-n1ccnc1C

0.652

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

0.651

View
CCc1cnccc1NC(=O)C(C)NC(C)=O

0.651

View
CCCNC(C)C(=O)Nc1cnccc1C

0.651

View
Cc1ccncc1NC(=O)C(C)NC1CC1

0.651

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

0.650

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

0.650

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

0.650

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

0.650

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

0.644

View
CCC(CC)Nc1ccncc1NC(=O)C(C)NC(C)=O

0.644

View
Cc1ccncc1NC(=O)NC(C)C(=O)Nc1ccccc1

0.644

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

0.643

View
CC(=O)NC(C)C(=O)NC(C)c1cnccc1C

0.643

View
CC(=O)N[C@@H](C)C(=O)Nc1ccccc1C

0.641

View
CC(=O)NC(C)C(=O)Nc1ccccc1C

0.641

View
CC(=O)NC(C)C(=O)Nc1cnccc1-n1cc(C)cn1

0.638

View
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cnccc2C)cc1

0.638

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

0.638

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

0.638

View
Cc1ccncc1NC(=O)C(C)NC(=O)c1ccoc1

0.638

View
CC(=O)NC(C)C(=O)Nc1cc(-c2cccnc2)ccc1C

0.638

View
Cc1ccncc1NC(=O)N[C@@H](C)C(=O)Nc1cccnc1C

0.638

View
CCNC(=O)C(C)NC(=O)Nc1cnccc1C

0.636

View
CCC(C)C(=O)Nc1cnccc1C

0.634

View
COC(C)C(=O)Nc1cnccc1C

0.634

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

0.634

View
CSC(C)C(=O)Nc1cnccc1C

0.634

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

0.634

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

0.634

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

0.634

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

0.634

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

0.634

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

0.634

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

0.634

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

0.196

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

0.758

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

0.743

View
C(NC1=C(C)C=CN=C1)(=O)C1N(C)CCC1

0.738

View
C(NC1=C(C)C=CN=C1)(=O)CN1C(=O)CCC1

0.733

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

0.725

View


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