Molecule Details

Molecular Properties
SMILES:
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC)c1cccnc1
MW: 351.45
Fraction sp3: 0.29
HBA: 3
HBD: 1
Rotatable Bonds: 5
TPSA: 62.3
cLogP: 3.3854
Covalent Warhead: ✔️
Covalent Fragment:
Source
Enamine SCR: Z4457849190
Activity Data
IC50 (µM) - Fluorescence: 35.7085529921464
IC50 (µM) - RapidFire: 16.9787020147867
Trypsin IC50 (µM): 99.0
pIC50 (µM) - Fluorescence 4.44722774824628
Average Inhibition @ 20 µM - Fluorescence: 42.0882
Average Inhibition @ 50 µM - Fluorescence: 69.70667
Average Inhibition @ 20 µM - RapidFire: 57.3567436072573
Average Inhibition @ 50 µM - RapidFire: 100.0
Relative Solubility @ 20 µM: 1.01
Relative Solubility @ 100 µM: 0.99
Order Status
Shipped: 2020-05-13

Long aliphatic chain

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

RAL-MED-9a5eb9cb-10
0.818

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

LON-WEI-8f408cad-8
0.791

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

LON-WEI-adc59df6-21
0.779

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

LON-WEI-adc59df6-30
0.768

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

LON-WEI-adc59df6-44
0.746

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

LON-WEI-adc59df6-29
0.726

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCC1)c1cccnc1

LON-WEI-adc59df6-14
0.726

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

LON-WEI-adc59df6-31
0.726

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccc(F)cc1)c1cccnc1

LON-WEI-adc59df6-41
0.711

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

LON-WEI-adc59df6-17
0.707

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

LON-WEI-adc59df6-26
0.707

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCCC1)c1cccnc1

LON-WEI-adc59df6-35
0.707

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccccc1Cl)c1cccnc1

LON-WEI-adc59df6-42
0.707

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1

LON-WEI-d1c9908a-7
0.701

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCc1cccnc1)c1cccnc1

LON-WEI-adc59df6-28
0.697

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

LON-WEI-adc59df6-27
0.688

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCCCC1)c1cccnc1

LON-WEI-adc59df6-8
0.688

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1cccc(F)c1)c1cccnc1

LON-WEI-adc59df6-46
0.684

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCc1ccncc1)c1cccnc1

LON-WEI-adc59df6-36
0.679

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCc1ccccc1)c1cccnc1

LON-WEI-adc59df6-40
0.679

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

LON-WEI-adc59df6-10
0.679

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1cccc(Br)c1)c1cccnc1

LON-WEI-adc59df6-5
0.675

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCOCC1)c1cccnc1

LON-WEI-adc59df6-39
0.671

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1cccc(C(F)(F)F)c1)c1cccnc1

LON-WEI-adc59df6-15
0.667

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccc(OC)nc1)c1cccnc1

LON-WEI-adc59df6-37
0.667

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1cccc(OC)c1)c1cccnc1

LON-WEI-adc59df6-12
0.667

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccccc1OC)c1cccnc1

LON-WEI-adc59df6-18
0.662

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CC(C(=O)OC)C1)c1cccnc1

LON-WEI-adc59df6-1
0.662

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCc1ccc(Cl)cc1)c1cccnc1

LON-WEI-adc59df6-20
0.662

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

RAL-MED-9a5eb9cb-12
0.662

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

ERI-UCB-fbdd3ea1-4
0.662

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCc1ccc(F)cc1)c1cccnc1

LON-WEI-adc59df6-23
0.654

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCC(=O)OCC)c1cccnc1

LON-WEI-adc59df6-2
0.654

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1cccc(Cl)c1C)c1cccnc1

LON-WEI-adc59df6-9
0.646

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1c(C)cccc1CC)c1cccnc1

LON-WEI-d1c9908a-10
0.646

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccccc1-c1ccccc1)c1cccnc1

LON-WEI-adc59df6-34
0.646

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccc(Cl)cc1F)c1cccnc1

LON-WEI-adc59df6-33
0.646

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCN1CCCC1)c1cccnc1

LON-WEI-adc59df6-22
0.646

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1cccc(C(=O)OC)c1)c1cccnc1

LON-WEI-adc59df6-24
0.643

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCCC(=O)OCC)c1cccnc1

LON-WEI-adc59df6-7
0.639

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1cccc(F)c1C)c1cccnc1

LON-WEI-d1c9908a-9
0.639

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccc(F)cc1C)c1cccnc1

LON-WEI-adc59df6-16
0.639

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

LON-WEI-adc59df6-82
0.636

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccc2c(c1)OCCO2)c1cccnc1

LON-WEI-adc59df6-4
0.635

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccc2c(c1)OCO2)c1cccnc1

LON-WEI-adc59df6-43
0.635

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccc(OC)cc1C)c1cccnc1

LON-WEI-d1c9908a-3
0.631

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCC1CCCO1)c1cccnc1

LON-WEI-adc59df6-32
0.631

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1

LON-WEI-adc59df6-47
0.631

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCC1CCOC1)c1cccnc1

LON-WEI-adc59df6-19
0.631

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

LON-WEI-adc59df6-91
0.628

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)N[C@H]1CC[C@@H](C(=O)OC)C1)c1cccnc1

LON-WEI-adc59df6-6
0.624

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCN1CCOCC1)c1cccnc1

LON-WEI-adc59df6-25
0.624

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccc2c(c1)CCC2)c1cccnc1

LON-WEI-adc59df6-11
0.621

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccc(OC)cc1OC)c1cccnc1

LON-WEI-adc59df6-45
0.616

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccccc1)c1cccnc1

RAL-MED-9a5eb9cb-9
0.608

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

LON-WEI-adc59df6-80
0.605

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccccn1)c1cccnc1

BRU-LEF-8bac3ce8-1
0.605

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

NIM-NMI-8bb27a2b-17
0.603

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

NIM-NMI-8bb27a2b-19
0.600

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

NIM-NMI-8bb27a2b-24
0.600

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
0.597

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

LON-WEI-b8d98729-6
0.597

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

RAL-MED-9a5eb9cb-11
0.597

View
C=CC(=O)N(c1ccc(C(C)(C)CC)cc1)C(C(=O)Nc1ccc(Br)cc1)c1cccnc1

LON-WEI-b8d98729-35
0.595

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccc(OCc2ccccc2)cc1)c1cccnc1

LON-WEI-adc59df6-13
0.593

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

NIM-NMI-8bb27a2b-16
0.593

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

NIM-NMI-8bb27a2b-23
0.590

View
C=CC(=O)N(c1ccc(C(C)(C)CC)cc1)C(C(=O)Nc1ccc(Cl)cc1)c1cccnc1

LON-WEI-b8d98729-33
0.588

View
C=CC(=O)N(c1ccc(C(C)(C)CC)cc1)C(C(=O)Nc1ccccc1Br)c1cccnc1

LON-WEI-d1c9908a-12
0.588

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1c(C)cccc1C)c1cccnc1

NIM-NMI-8bb27a2b-22
0.585

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1

LON-WEI-b8d98729-27
0.583

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

LON-WEI-d1c9908a-1
0.582

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

LON-WEI-adc59df6-95
0.580

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccccc1Br)c1cccnc1

LON-WEI-b8d98729-41
0.578

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

LON-WEI-b8d98729-10
0.575

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)NC1CCCC1)c1cccnc1

RAL-MED-9a5eb9cb-15
0.573

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

NIM-NMI-8bb27a2b-18
0.571

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccnc1

NIM-NMI-8bb27a2b-25
0.570

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1cccc(OCc2ccccc2)c1)c1cccnc1

LON-WEI-adc59df6-38
0.568

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)NC1CCCCC1)c1cccnc1

NIM-NMI-8bb27a2b-15
0.560

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)NCc1ccccc1)c1cccnc1

NIM-NMI-8bb27a2b-20
0.553

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

LON-WEI-adc59df6-87
0.553

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccc2ccccc2c1)c1cccnc1

NIM-NMI-8bb27a2b-26
0.551

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1c(C)cccc1Cl)c1cccnc1

NIM-NMI-8bb27a2b-21
0.545

View
C=CC(=O)N(c1ccc(NC(C)=O)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1)c1cccnc1

JAN-GHE-d851b096-4
0.541

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

LON-WEI-adc59df6-78
0.541

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)NCc1ccc(Cl)cc1)c1cccnc1

NIM-NMI-8bb27a2b-28
0.540

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1c(C)cccc1CC)c1cccnc1

LON-WEI-b8d98729-39
0.539

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)[C@@H](C(=O)Nc1c(C)cccc1CC)c1cccnc1

ERI-UCB-fbdd3ea1-2
0.539

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)[C@H](C(=O)Nc1c(C)cccc1CC)c1cccnc1

ERI-UCB-fbdd3ea1-1
0.539

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC(C)(C)C)c1cncc(C(C)(F)F)c1

LON-WEI-adc59df6-60
0.537

View
C=CC(=O)N(c1ccc(N(C)C)cc1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1

BRU-LEF-973da26b-1
0.536

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1

LON-WEI-babf2c61-9
0.533

View
C=CC(=O)N(c1ccc(C(C)(C)CC)cc1)C(C(=O)Nc1cccc(F)c1C)c1cccnc1

LON-WEI-b8d98729-36
0.533

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccc(OC)cc1C)c1cccnc1

LON-WEI-b8d98729-37
0.527

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC(C)(C)C)c1cncc(Cl)c1

LON-WEI-adc59df6-53
0.525

View
C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC(C)(C)C)c1cncc(Br)c1

LON-WEI-adc59df6-54
0.525

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

LON-WEI-b8d98729-32
0.524

View
C=CC(=O)N(c1ccc(SC)cc1)C(C(=O)Nc1ccc(Cl)cc1)c1cccnc1

LON-WEI-b8d98729-24
0.523

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

LON-WEI-adc59df6-83
0.523

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

0.440

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

0.432

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

0.429

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

0.427

View
COC(=O)C(C1=CC=CN=C1)N(C)CC1=CC=C(C(C)(C)C)C=C1

0.425

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

0.416

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

0.416

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

0.412

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

0.408

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

0.405

View
CC(C)C(C(=O)NNC1=CC=C(C(C)(C)C)C=C1)C1=CC=CN=C1

0.400

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

0.400

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

0.400

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

0.397

View
C[C@H](NC(=O)C(O)C1=CC=CN=C1)C1=CC=C(C(C)(C)C)C=C1

0.397

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

0.397

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

0.397

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

0.392

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

0.392

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

0.390

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

0.390

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

0.390

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

0.388

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

0.388

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

0.388

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

0.387

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

0.386

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

0.385

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CC(NC(=O)NNC1=CC=C(C(C)(C)C)C=C1)C1=CC=CN=C1

0.383

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

0.383

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COC(=O)C(N[C@@H](C)C1=CC=C(C(C)(C)C)C=C1)C1=CC=CN=C1

0.383

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

0.378

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CC(C)(C)C1=CC=C(C(C#N)NC(=O)C(O)C2=CC=CN=C2)C=C1

0.378

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CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC=C2NC(=O)C(O)C2=CC=CN=C2)C=C1

0.378

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

0.378

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

0.378

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

0.377

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CC(NC(=O)N[C@@H](C)C1=CC=C(C(C)(C)C)C=C1)C1=CC=CN=C1

0.377

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

0.377

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CC(NC(=O)C(=O)N[C@@H](C)C1=CC=C(C(C)(C)C)C=C1)C1=CC=CN=C1

0.377

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CC(C(=O)NC1=CC=C(C(C)(C)C)C=C1)N1CCN(C(C)C2=CC=CN=C2)CC1

0.375

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

0.375

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

0.375

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

0.373

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

0.373

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

0.373

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

0.373

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

0.373

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

0.372

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

0.372

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

0.370

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

0.370

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CC(C)(C)C1=CC=C(CCNC(=O)C(O)C2=CC=CN=C2)C=C1

0.370

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

0.369

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

0.369

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

0.368

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

0.368

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

0.368

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

0.367

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

0.367

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

0.366

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CC(C)(C)C1=CC=C(C(NC(=O)C(O)C2=CC=CN=C2)C(F)(F)F)C=C1

0.366

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

0.366

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

0.366

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CC(N[C@@H](C)C1=CC=C(C(C)(C)C)C=C1)C1=CC=CN=C1

0.365

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

0.365

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

0.365

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

0.365

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

0.365

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

0.364

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

0.362

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CC(C)C(C(=O)NCC1=CC=C(C(C)(C)C)C=C1)C1=CC=CN=C1

0.361

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CC(C)(C)C1=CC=C(C2(NC(=O)C(O)C3=CC=CN=C3)CC2)C=C1

0.361

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

0.360

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

0.360

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

0.358

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

0.358

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CC(C1=CC=CN=C1)N(C)C(=O)N[C@@H](C)C1=CC=C(C(C)(C)C)C=C1

0.357

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

0.357

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

0.357

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CC(C)(C)C1=CC=C(NC(=O)CNC(C2=CC=CN=C2)C(C)(C)CO)C=C1

0.356

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

0.354

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

0.354

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

0.353

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CC(C)C(C(=O)NCCC1=CC=C(C(C)(C)C)C=C1)C1=CC=CN=C1

0.353

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

0.351

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

0.350

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CC(C1=CC=CN=C1)N(C)C(=O)NCC1=CC=C(C(C)(C)C)C=C1

0.349

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

0.349

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CC(C1=CC=CN=C1)N(C)C(=O)C(=O)N[C@@H](C)C1=CC=C(C(C)(C)C)C=C1

0.349

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

0.346

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

0.346

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CC(C)(C)C1=CC=C(C(F)(F)C(=O)NC(CO)C2=CC=CN=C2)C=C1

0.345

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CC(NC(=O)CSC1=CC=C(C(C)(C)C)C=C1)C1=CC=CN=C1

0.341

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CCN(CCOC(C)(C)C)C(C(=O)OC)C1=CC=CN=C1

0.337

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CC(C)(C)C1=CC=C(SCC(=O)NC(CO)C2=CC=CN=C2)C=C1

0.337

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CC(C)(C)C1=CC=C(CCC(=O)NC(CO)C2=CC=CN=C2)C=C1

0.333

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CC(C)(C)C1=CC=C(C2=NN=C(NC(=O)C(O)C3=CC=CN=C3)[NH]2)C=C1

0.330

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

0.316

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

0.312

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

0.791

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Cc1ccc(cc1)N1CC(=O)N(C(C1=O)c1cccnc1)c1ccc(C)cc1

0.152

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