Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(CCC#N)cc1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 390.487 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 86.09 |
cLogP: | 3.71278 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-05-20 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
MAT-POS-3d050446-1
LON-WEI-b8d98729-6
0.722
LON-WEI-adc59df6-82
0.695
LON-WEI-8f408cad-8
0.684
LON-WEI-adc59df6-80
0.667
RAL-MED-9a5eb9cb-12
0.659
LON-WEI-b8d98729-7
0.659
ERI-UCB-fbdd3ea1-4
0.659
LON-WEI-adc59df6-87
0.648
LON-WEI-adc59df6-91
0.647
LON-WEI-d1c9908a-1
0.643
LON-WEI-b8d98729-10
0.635
LON-WEI-adc59df6-95
0.621
LON-WEI-adc59df6-74
0.602
LON-WEI-adc59df6-73
0.598
LON-WEI-adc59df6-103
0.596
LON-WEI-b8d98729-32
0.586
LON-WEI-adc59df6-79
0.584
LON-WEI-adc59df6-70
0.581
LON-WEI-adc59df6-83
0.581
LON-WEI-adc59df6-65
0.570
JAN-GHE-d851b096-8
0.568
LON-WEI-8f408cad-9
0.567
LON-WEI-adc59df6-101
0.556
LON-WEI-adc59df6-81
0.552
LON-WEI-adc59df6-85
0.548
LON-WEI-b8d98729-31
0.547
LON-WEI-adc59df6-68
0.543
LON-WEI-adc59df6-3
0.541
LON-WEI-adc59df6-88
0.541
LON-WEI-adc59df6-84
0.538
LON-WEI-adc59df6-104
0.537
LON-WEI-adc59df6-30
0.534
MAT-POS-3d050446-1
0.529
LON-WEI-adc59df6-21
0.523
LON-WEI-adc59df6-100
0.521
LON-WEI-adc59df6-102
0.520
LON-WEI-b8d98729-23
0.516
LON-WEI-adc59df6-17
0.516
RAL-MED-9a5eb9cb-10
0.511
LON-WEI-adc59df6-29
0.511
LON-WEI-adc59df6-31
0.511
LON-WEI-adc59df6-28
0.511
LON-WEI-adc59df6-44
0.505
ERI-UCB-fbdd3ea1-13
0.505
LON-WEI-adc59df6-27
0.505
LON-WEI-adc59df6-20
0.505
LON-WEI-adc59df6-26
0.500
LON-WEI-adc59df6-23
0.500
LON-WEI-adc59df6-36
0.500
LON-WEI-adc59df6-40
0.500
ERI-UCB-fbdd3ea1-11
0.500
LON-WEI-adc59df6-35
0.500
LON-WEI-adc59df6-10
0.500
ERI-UCB-fbdd3ea1-12
0.495
LON-WEI-adc59df6-14
0.495
ERI-UCB-fbdd3ea1-31
0.490
LON-WEI-adc59df6-41
0.490
ERI-UCB-fbdd3ea1-16
0.490
ERI-UCB-fbdd3ea1-15
0.489
LON-POS-586a7c45-1
0.485
PAU-WEI-5b8d5051-1
0.485
LON-WEI-adc59df6-47
0.485
ERI-UCB-fbdd3ea1-30
0.485
LON-WEI-b8d98729-24
0.485
LON-WEI-adc59df6-42
0.484
NIM-NMI-8bb27a2b-19
0.484
NIM-NMI-8bb27a2b-24
0.484
RIT-AID-a497c99f-1
0.483
ERI-UCB-fbdd3ea1-14
0.480
LON-WEI-b8d98729-47
0.480
NIM-NMI-8bb27a2b-23
0.480
ERI-UCB-fbdd3ea1-17
0.479
NIM-NMI-8bb27a2b-16
0.479
LON-WEI-adc59df6-72
0.478
LON-WEI-b8d98729-2
0.475
LON-WEI-adc59df6-1
0.475
LON-WEI-adc59df6-18
0.475
LON-WEI-adc59df6-46
0.475
LON-WEI-adc59df6-8
0.474
LON-WEI-b8d98729-35
0.470
LON-WEI-adc59df6-2
0.470
NIM-NMI-8bb27a2b-28
0.470
LON-WEI-d1c9908a-7
0.469
NIM-NMI-8bb27a2b-17
0.468
LON-WEI-adc59df6-53
0.467
LON-WEI-adc59df6-25
0.466
LON-WEI-babf2c61-9
0.466
LON-WEI-adc59df6-34
0.465
LON-WEI-d1c9908a-12
0.465
LON-WEI-b8d98729-33
0.465
LON-WEI-d1c9908a-10
0.465
LON-WEI-adc59df6-22
0.465
NIM-NMI-8bb27a2b-20
0.465
LON-WEI-adc59df6-39
0.465
NIM-NMI-8bb27a2b-18
0.465
RAL-MED-9a5eb9cb-15
0.464
ALP-POS-c59291d4-6
0.463
LON-WEI-adc59df6-75
0.463
LON-WEI-adc59df6-60
0.462
LON-WEI-adc59df6-7
0.461