Molecule Details

Molecular Properties
SMILES:
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC(C)(C)C)c1cccnc1
MW: 384.48
Fraction sp3: 0.43
HBA: 5
HBD: 1
Rotatable Bonds: 5
TPSA: 88.33
cLogP: 3.5421
Covalent Warhead: ✔️
Covalent Fragment:
Source
Enamine SCR: Z4439011607
Activity Data
IC50 (µM) - Fluorescence: 99.0
Trypsin IC50 (µM): 99.0
Average Inhibition @ 20 µM - Fluorescence: 7.85931
Average Inhibition @ 50 µM - Fluorescence: 16.13711
Average Inhibition @ 20 µM - RapidFire: 28.67136864
Relative Solubility @ 20 µM: 0.98
Relative Solubility @ 100 µM: 0.91
Order Status
Shipped: 2020-04-09

Long aliphatic chain

C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC1CC1)c1cccnc1

NIM-NMI-8bb27a2b-3
0.753

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC1CCCC1)c1cccnc1

ERI-UCB-fbdd3ea1-6
0.728

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCCN(C)C)c1cccnc1

ERI-UCB-fbdd3ea1-9
0.725

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCCC(C)C)c1cccnc1

NIM-NMI-8bb27a2b-4
0.725

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCC(=O)OC)c1cccnc1

NIM-NMI-8bb27a2b-11
0.725

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC1CCC1)c1cccnc1

ERI-UCB-fbdd3ea1-7
0.725

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC(C)(C)C)c1ccccc1

ERI-UCB-fbdd3ea1-24
0.716

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC(C)(C)C)c1ccncc1

ERI-UCB-fbdd3ea1-26
0.716

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCCCC)c1cccnc1

NIM-NMI-8bb27a2b-2
0.716

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)Nc1c(C)cccc1C)c1cccnc1

NIM-NMI-8bb27a2b-6
0.716

View
CC(=O)C(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC(C)(C)C)c1cccnc1

ERI-UCB-fbdd3ea1-33
0.711

View
C=CC(=O)N(c1cc(C2CC2)on1)C(C(=O)NC(C)(C)C)c1cccnc1

ERI-UCB-fbdd3ea1-30
0.704

View
CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)/C=C/c1ccccc1)c1cc(C(C)(C)C)on1

ERI-UCB-fbdd3ea1-32
0.702

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCC(=O)OC(C)(C)C)c1cccnc1

NIM-NMI-8bb27a2b-5
0.699

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCC(=O)OCC)c1cccnc1

NIM-NMI-8bb27a2b-12
0.699

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC1CCCCC1)c1cccnc1

NIM-NMI-8bb27a2b-1
0.690

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC1CCCCC1)c1cccnc1

ERI-UCB-fbdd3ea1-5
0.690

View
C=CC(=O)N(c1cc(CC2CC2)on1)C(C(=O)NC(C)(C)C)c1cccnc1

ERI-UCB-fbdd3ea1-31
0.687

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCc1ccccc1)c1cccnc1

NIM-NMI-8bb27a2b-10
0.682

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC1CCN(C)CC1)c1cccnc1

ERI-UCB-fbdd3ea1-8
0.667

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCc1ccc(Cl)cc1)c1cccnc1

NIM-NMI-8bb27a2b-13
0.667

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)Nc1c(C)cccc1Cl)c1cccnc1

NIM-NMI-8bb27a2b-7
0.659

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)Nc1c(C)cccc1CC)c1cccnc1

LON-WEI-b8d98729-46
0.659

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1

LON-WEI-babf2c61-10
0.652

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)Nc1ccc(OC)cc1C)c1cccnc1

LON-WEI-b8d98729-43
0.652

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)Nc1ccnc(NC(C)(C)C)c1)c1cccnc1

ERI-UCB-fbdd3ea1-28
0.648

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCCN1CCN(C)CC1)c1cccnc1

ERI-UCB-fbdd3ea1-10
0.644

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)Nc1ccc2ccccc2c1)c1cccnc1

NIM-NMI-8bb27a2b-9
0.644

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccnc1

NIM-NMI-8bb27a2b-8
0.644

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)Nc1cccc(CC)c1)c1cccnc1

LON-WEI-b8d98729-15
0.644

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCc1cccc(Cl)c1)c1cccnc1

NIM-NMI-8bb27a2b-14
0.637

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC(C)(C)C)c1cc[nH]c(=O)c1

ERI-UCB-fbdd3ea1-29
0.622

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC(C)(C)C)c1ccccn1

ERI-UCB-fbdd3ea1-25
0.598

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-8f408cad-8
0.588

View
C=CC(=O)N(c1cc(C(C)(C)C)nn1C(C)C)C(C(=O)NC(C)(C)C)c1cccnc1

ERI-UCB-fbdd3ea1-13
0.576

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1C)C(C(=O)NC(C)(C)C)c1cccnc1

ERI-UCB-fbdd3ea1-15
0.576

View
CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)C(=O)CNCc1ccccc1)c1cc(C(C)(C)C)on1

ERI-UCB-fbdd3ea1-34
0.574

View
C=CC(=O)N(c1cnc(C)s1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-81
0.573

View
C=CC(=O)N(c1cc(C(C)(C)C)nn1C)C(C(=O)NC(C)(C)C)c1cccnc1

ERI-UCB-fbdd3ea1-11
0.571

View
C=CC(=O)N(c1cc(C(F)(F)F)on1)C(C(=O)NC1CCCCC1)c1cccnc1

JAN-GHE-d851b096-7
0.571

View
C=CC(=O)N(c1ccc(CC)c(I)c1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-73
0.565

View
C=CC(=O)N(c1cc(C)cc(N)c1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-101
0.558

View
C=CC(=O)N(c1ccc(C(F)F)cc1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-80
0.554

View
C=CC(=O)N(c1cccc(Cl)c1)C(C(=O)NC(C)(C)C)c1cccnc1

JAN-GHE-d851b096-8
0.553

View
C=CC(=O)N(c1ccc(N(C)C)c(C)c1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-8f408cad-9
0.552

View
C=CC(=O)N(c1cnc(N(C)C)nc1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-70
0.548

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)NC(C)(C)C)c1cccnc1

RAL-MED-9a5eb9cb-12
0.548

View
C=CC(=O)N(c1ccc(SC)cc1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-b8d98729-6
0.548

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)NC(C)(C)C)c1cccnc1

ERI-UCB-fbdd3ea1-4
0.548

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)[C@@H](C(=O)NC)c1cnccc1C

DAR-DIA-2b784ede-31
0.548

View
C=CC(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-b8d98729-7
0.548

View
C=CC(=O)N(c1ccc(C(C)(C)C#N)cc1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-82
0.547

View
C=CC(=O)N(c1cc(C(C)(C)C)nn1CC)C(C(=O)NC(C)(C)C)c1cccnc1

ERI-UCB-fbdd3ea1-12
0.545

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1C(C)C)C(C(=O)NC(C)(C)C)c1cccnc1

ERI-UCB-fbdd3ea1-17
0.545

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC(C)(C)C)c1cncc2ccccc12

ERI-UCB-fbdd3ea1-27
0.543

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1CC)C(C(=O)NC(C)(C)C)c1cccnc1

ERI-UCB-fbdd3ea1-16
0.539

View
C=CC(=O)N(c1ccc(C2(C)CC2)cc1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-d1c9908a-1
0.535

View
C=CC(=O)N(c1ccc(C(C)C)nc1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-b8d98729-32
0.535

View
C=CC(=O)N(c1ccc(N2CCC2)cc1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-95
0.534

View
C#Cc1cncc(N(C(=O)C=C)C(C(=O)NC(C)(C)C)c2cccnc2)c1

LON-WEI-adc59df6-74
0.534

View
C=CC(=O)N(c1ccc(I)c(Br)c1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-79
0.534

View
C=CC(=O)N(c1ccc(C(C)OC)cc1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-b8d98729-10
0.529

View
C#Cc1cccc(N(C(=O)C=C)C(C(=O)NC(C)(C)C)c2cccnc2)c1

LON-WEI-adc59df6-103
0.528

View
C=CC(=O)N(c1ccc(C(F)(F)CF)cc1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-91
0.523

View
C=CC(=O)N(c1cnc(OC)c(Br)c1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-84
0.522

View
C=CC(=O)N(c1ccc(CCC#N)cc1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-78
0.516

View
C#CCOc1ccc(N(C(=O)C=C)C(C(=O)NC(C)(C)C)c2cccnc2)cc1

LON-WEI-adc59df6-87
0.511

View
C=CC(=O)N(c1ccc2cc[nH]c2c1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-68
0.511

View
C=CC(=O)N(c1cccc(-c2cncnc2)c1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-100
0.505

View
C=CC(=O)N(c1ccc2c(ccn2C)c1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-104
0.505

View
C=CC(=O)N(c1cnc(OC)c(C#N)c1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-65
0.505

View
C=CC(=O)N(c1cnn(C2CC2)c1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-85
0.500

View
C=CC(=O)N(c1ccc(C2CCOC2)cc1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-83
0.500

View
C=CC(=O)N(c1ccc2ncsc2c1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-b8d98729-31
0.500

View
C=CC(=O)N(c1cc(C(C)(C)C)nn1Cc1ccccc1)C(C(=O)NC(C)(C)C)c1cccnc1

ERI-UCB-fbdd3ea1-14
0.495

View
C=CC(=O)N(c1ccccc1Oc1cc(F)cc(F)c1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-77
0.490

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCCc1cccc(F)c1)c1cncc(C)c1

LON-WEI-babf2c61-13
0.485

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCCc1cccc(F)c1)c1cncc(O)c1

LON-WEI-babf2c61-12
0.480

View
C=CC(=O)N(c1ccc2c(c1)NC(=O)NC2)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-88
0.480

View
C=CC(=O)N(C(C(=O)NC(C)(C)C)c1cccnc1)C1CC12CC(C)(C)C2

LON-WEI-adc59df6-99
0.478

View
C=CC(=O)N(C(CO)CC#CC)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-72
0.477

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)[C@@H](C(=O)Nc1c(C)cccc1CC)c1cnccc1C

DAR-DIA-2b784ede-35
0.475

View
C=CC(=O)N(c1ccc2c(c1)C=CCCC2)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-102
0.475

View
C=CC(=O)N(Cc1ccccc1Cl)C(C(=O)NC(C)(C)C)c1cccnc1

NIR-WEI-f9286bb6-2
0.472

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC)c1cccnc1

LON-WEI-adc59df6-3
0.471

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCCc1cccc(F)c1)c1cncc(Cl)c1

LON-WEI-babf2c61-11
0.471

View
C=CC(=O)N(C1CC(C)OC1=O)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-93
0.467

View
C=CC(=O)N(C1CCOC1=O)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-96
0.467

View
C=CC(=O)N(c1cc(C(C)(C)C#N)on1)[C@@H](C(=O)NC)c1cnccc1C

DAR-DIA-2b784ede-32
0.462

View
CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1

ALP-POS-c59291d4-6
0.462

View
C=CC(=O)N(c1cc(C(C)(C)Cl)on1)[C@@H](C(=O)NC)c1cnccc1C

DAR-DIA-2b784ede-33
0.462

View
C=CC(=O)N(C1CN(C(C)(C)C)C1)C(C(=O)NC(C)(C)C)c1cccnc1

ERI-UCB-fbdd3ea1-19
0.461

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CC1)c1cccnc1

LON-WEI-adc59df6-44
0.456

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC(C)C)c1cccnc1

LON-WEI-adc59df6-21
0.455

View
C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCCc1cccc(F)c1)c1cncc(C#N)c1

LON-WEI-babf2c61-14
0.453

View
C=CC(=O)N(C1CCC(C)NC1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-86
0.452

View
C=CC(=O)N(C1CCN(C(C)(C)C)CC1)C(C(=O)NC(C)(C)C)c1cccnc1

ERI-UCB-fbdd3ea1-18
0.451

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCC)c1cccnc1

LON-WEI-adc59df6-30
0.449

View
C=CC(=O)N(C(C)COc1cccc(F)c1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-66
0.449

View
C=CC(=O)N(CCC1COC(C)(C)C1)C(C(=O)NC(C)(C)C)c1cccnc1

LON-WEI-adc59df6-76
0.448

View
CC(NC(=O)C1=NOC(C(C)(C)C)=C1)C1=CC=CN=C1

0.439

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

0.419

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

0.414

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

0.393

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

0.387

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

0.385

View
CC(C)(C)C1=CC(C(=O)NCC(O)C2=CC=CN=C2)=NO1

0.382

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

0.382

View
CC(C)(C)C1=CC(NC(=O)NC(C2=CC=CC=C2)C2=CC=CN=C2)=NO1

0.380

View
CC(C1=CC=CN=C1)N(C)C(=O)C1=NOC(C(C)(C)C)=C1

0.379

View
CC(C)(C)C1=CC(C(=O)NC(C2=CC=CC=C2)C2=CC=CN=C2)=NO1

0.378

View
CC(C)(C)C1=CC(NC(=O)C(=O)NC(C2=CC=CC=C2)C2=CC=CN=C2)=NO1

0.376

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

0.376

View
CC(C)(C)C1=CC(C(=O)NC(CO)C2=CC=CN=C2)=NO1

0.375

View
COC(=O)C(NC(=O)C1=NOC(C(C)(C)C)=C1)C1=CC=CN=C1

0.375

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

0.375

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

0.375

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

0.373

View
CC(NC(=O)N(C)C(C)C(=O)NC(C)(C)C)C1=CC=CN=C1

0.372

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

0.370

View
CC(C1=CC=CN=C1)N1CCN(C(=O)C(=O)NC2=NOC(C(C)(C)C)=C2)CC1

0.367

View
CC(C)(C)C1=CC(COC(=O)C(O)C2=CC=CN=C2)=NO1

0.367

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CN(CC1=NOC(C(C)(C)C)=C1)CC(O)C1=CC=CN=C1

0.367

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

0.365

View
CC(C1=CC=CN=C1)N1CCN(C(=O)NC2=NOC(C(C)(C)C)=C2)CC1

0.365

View
CC(NC(=O)C(=O)N(C)C(C)C(=O)NC(C)(C)C)C1=CC=CN=C1

0.364

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CC(C)C(CNC(=O)C1=NOC(C(C)(C)C)=C1)C1=CC=CN=C1

0.363

View
CC(C1=CC=CN=C1)N1CCN(C(=O)C2=NOC(C(C)(C)C)=C2)CC1

0.362

View
CC(C(=O)NC(C)(C)C)N(C)CC(O)C1=CC=CN=C1

0.360

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

0.359

View
CC(C)(C)C1=CC(C(=O)NC(C2=CC=CN=C2)C(C)(C)CO)=NO1

0.359

View
CC(NCC1=NOC(C(C)(C)C)=C1)C1=CC=CN=C1

0.356

View
CC(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C1=CC=CN=C1

0.356

View
CC(SC(C)C1=CC=CN=C1)C(=O)NC(C)(C)C

0.354

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

0.353

View
CCN(C(=O)C1=NOC(C(C)(C)C)=C1)C(C1=CC=C(C)C=C1)C1=CC=CN=C1

0.351

View
CC(OC(=O)C(C1=CC=CN=C1)C(C)C)C(=O)NC(C)(C)C

0.349

View
CC(C)C(C(=O)OCC1=NOC(C(C)(C)C)=C1)C1=CC=CN=C1

0.348

View
CC(C)(C)C1=CC(NC(=O)NC(C2=CC=CN=C2)C2CCCCC2)=NO1

0.347

View
CC(C)(C)C1=CC(NC(=O)C(=O)NC(C2=CC=CN=C2)C2CCCCC2)=NO1

0.347

View
CC(C1=CC=CN=C1)N(C)C(=O)NC(C)(C)C

0.346

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

0.345

View
C=CCCC(C)(C)NC(=O)C(O)C1=CC=CN=C1

0.345

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CN(CC(O)C1=CC=CN=C1)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1

0.344

View
CC(NCC(O)C1=CC=CN=C1)C(=O)NC(C)(C)C

0.341

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

0.341

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

0.341

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CC(C(=O)NC(C)(C)C)N1CCN(C(C)C2=CC=CN=C2)CC1

0.341

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CC(SCC1=NOC(C(C)(C)C)=C1)C1=CC=CN=C1

0.341

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CC(C)(C)C1=CC(C(=O)NC(C2=CC=CN=C2)C2CCCCC2)=NO1

0.340

View
CC(NC(=O)C1=NOC(C(C)(C)C)=C1)C1=CC=C(OC2=CC=CN=C2)C=C1

0.340

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

0.337

View
CC(OC(=O)C(O)C1=CC=CN=C1)C(=O)NC(C)(C)C

0.337

View
CC(C1=CC=CN=C1)N(C)CC1=NOC(C(C)(C)C)=C1

0.337

View
CC(C1=CC=CN=C1)N(C)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1

0.337

View
CCN(CC1=CC=CN=C1)C(=O)NC1=NOC(C(C)(C)C)=C1

0.333

View
CC(C)(NC(=O)C(O)C1=CC=CN=C1)C(F)(F)F

0.333

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CC(C)C(CNC(=O)C(=O)N(C)C(C)C(=O)NC(C)(C)C)C1=CC=CN=C1

0.330

View
CC(NC(=O)NCC(C1=CC=CN=C1)C(C)C)C(=O)NC(C)(C)C

0.330

View
CC(C)(C)C1=CC(C(=O)NNC(=O)C2=CC=CN=C2)=NO1

0.330

View
CCN(C(=O)C1=NOC(C(C)(C)C)=C1)C(C1=CC=CN=C1)C1=CC=C(F)C=C1F

0.327

View
CC(C)(C)C1=CC(C(=O)NC2=CC=CN=C2)=NO1

0.326

View
CCC(C)(C)NC(=O)C(O)C1=CC=CN=C1

0.325

View
CC(C)(NC(=O)C(O)C1=CC=CN=C1)C(F)F

0.325

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CCN(C(=O)C1=NOC(C(C)(C)C)=C1)C(C1=CC=CN=C1)C1=CC=C(F)C(F)=C1

0.324

View
CC(C)C(CNS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C1=CC=CN=C1

0.323

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CC(C)(C)C1=CC(CNC(C2=CC=CC=C2)C2=CC=CN=C2)=NO1

0.323

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CN(C)CCC(C)(C)NC(=O)C(O)C1=CC=CN=C1

0.322

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CC(C)C(CNC(=O)N(C)C(C)C(=O)NC(C)(C)C)C1=CC=CN=C1

0.319

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CC(C)(C)C1=CC(C(=O)OC(C2=CC=CN=C2)C2=CC=CC=C2[N+](=O)[O-])=NO1

0.317

View
CC(OC1=CC=CN=C1)C(=O)NC(C)(C)C

0.317

View
CC(C)(C)C1=CC(CS(=O)(=O)NC(C2=CC=CC=C2)C2=CC=CN=C2)=NO1

0.316

View
CC(C)(C)C1=CC(C(=O)NOCC2=CC=CN=C2)=NO1

0.315

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CCN(C(=O)C1=NOC(C(C)(C)C)=C1)C1=CC=CN=C1

0.315

View
CCN(C(C1=CC=C(C)C=C1)C1=CC=CN=C1)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1

0.314

View
C=CC(=O)N(CC)C(C1=CC=CN=C1)C1=CC=C(F)C(C)=C1

0.312

View
CC(C)(C)C1=CC(C(=O)NCC2=CC=CN=C2)=NO1

0.311

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CC(CC1=CC=CN=C1)NC(=O)C1=NOC(C(C)(C)C)=C1

0.309

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

0.305

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CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C(O)C1=CC=CN=C1

0.305

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CCC1=CC=C(C(C2=CC=CN=C2)N(CC)S(=O)(=O)CC2=NOC(C(C)(C)C)=C2)C=C1

0.305

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CCCN(C(=O)C1=NOC(C(C)(C)C)=C1)C1=CC=CN=C1

0.304

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CCC(C)(C)NC(=O)C(C)SC(C)C1=CC=CN=C1

0.303

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CCN(CC1=CC=CN=C1)C(=O)C1=NOC(C(C)(C)C)=C1

0.301

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CCN(C(C1=CC=C(Cl)C=C1)C1=CC=CN=C1)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1

0.295

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CCCCN(C(=O)C1=NOC(C(C)(C)C)=C1)C1=CC=CN=C1

0.295

View
CC(C)(C)C1=CC(NC(=O)N2CCC(C3=CC=CN=C3)CC2)=NO1

0.293

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CCN(C(C1=CC=CN=C1)C1=CC=C(F)C(C)=C1)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1

0.291

View
CCC(C1=CC=NC=C1)N(C)C(=O)C(=O)NC1=NOC(C(C)(C)C)=C1

0.289

View
CCN(C(C1=CC=CN=C1)C1=CC=C(F)C(F)=C1)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1

0.287

View
CCC(C1=CC=CC=C1)N(CC)C(=O)NC1=NOC(C(C)(C)C)=C1

0.281

View
CCC(C1=CC=NC=C1)N(C)C(=O)NC1=NOC(C(C)(C)C)=C1

0.274

View
CCC(C1=CC=NC=C1)N(CC)C(=O)NC1=NOC(C(C)(C)C)=C1

0.271

View
CC(C(=O)NC(C)(C)C)N(C)CC1=CC=C(C2=CC=CN=C2)O1

0.270

View
CC(C(=O)NC(C)(C)C)N(C)CC1=CC=CC(C2=CC=CN=C2)=C1

0.270

View
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)NCC(O)C3=CC=CN=C3)O2)C=C1

0.262

View
CCC(C1=CC=NC=C1)N(C)C(=O)C1=NOC(C(C)(C)C)=C1

0.255

View
CCN(CC)C(CNC(=O)C1=NOC(C(C)(C)C)=C1)C1=CC=CC=C1

0.255

View
CCC(C1=CC=CC=C1)N(CC)C(=O)C1=NOC(C(C)(C)C)=C1

0.253

View
CCC(C1=CC=NC=C1)N(CC)C(=O)C1=NOC(C(C)(C)C)=C1

0.253

View


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