Molecular Properties | |
SMILES: | Cc1cccnc1NC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 |
MW: | 350.17 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 76.02 |
cLogP: | 4.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9604434743 |
MolPort: | MolPort-007-773-075 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-5e7d1b3e-21
1.000
LON-WEI-4d77710c-22
0.605
LON-WEI-5e7d1b3e-22
0.605
LON-WEI-4d77710c-9
0.593
LON-WEI-5e7d1b3e-9
0.593
LON-WEI-5e7d1b3e-4
0.578
LON-WEI-4d77710c-4
0.578
LON-WEI-4d77710c-56
0.565
LON-WEI-5e7d1b3e-56
0.565
LON-WEI-4d77710c-43
0.552
LON-WEI-5e7d1b3e-43
0.552
LON-WEI-4d77710c-27
0.542
LON-WEI-5e7d1b3e-27
0.542
LON-WEI-4d77710c-30
0.539
LON-WEI-5e7d1b3e-30
0.539
MAT-POS-af71705c-2
0.522
MAT-POS-2492181e-12
0.512
LON-WEI-4d77710c-44
0.506
LON-WEI-5e7d1b3e-44
0.506
MAT-POS-2492181e-4
0.506
LON-WEI-5e7d1b3e-17
0.506
LON-WEI-4d77710c-17
0.506
LON-WEI-4d77710c-13
0.506
LON-WEI-5e7d1b3e-13
0.506
LON-WEI-5e7d1b3e-29
0.500
LON-WEI-4d77710c-29
0.500
LON-WEI-5e7d1b3e-51
0.500
LON-WEI-4d77710c-51
0.500
MAT-POS-2492181e-8
0.489
MAT-POS-b5746674-99
0.484
MAT-POS-2492181e-11
0.484
LON-WEI-5e7d1b3e-16
0.484
LON-WEI-4d77710c-16
0.484
MAT-POS-b5746674-109
0.484
MAT-POS-2492181e-9
0.479
MAT-POS-2492181e-7
0.478
LON-WEI-4d77710c-58
0.475
LON-WEI-5e7d1b3e-58
0.475
LON-WEI-5e7d1b3e-20
0.469
LON-WEI-4d77710c-20
0.469
LON-WEI-5e7d1b3e-42
0.469
LON-WEI-4d77710c-42
0.469
MAT-POS-b5746674-105
0.469
LON-WEI-4d77710c-40
0.468
LON-WEI-5e7d1b3e-40
0.468
LON-WEI-5e7d1b3e-48
0.464
LON-WEI-4d77710c-48
0.464
LON-WEI-4d77710c-15
0.463
MAT-POS-b5746674-100
0.463
LON-WEI-5e7d1b3e-15
0.463
LON-WEI-4d77710c-28
0.463
LON-WEI-5e7d1b3e-28
0.463
MAT-POS-b5746674-104
0.462
MAT-POS-2492181e-6
0.458
LON-WEI-5e7d1b3e-60
0.458
LON-WEI-4d77710c-60
0.458
MAT-POS-b5746674-110
0.452
MAT-POS-b5746674-108
0.451
LON-WEI-4d77710c-35
0.451
LON-WEI-5e7d1b3e-35
0.451
MAT-POS-b5746674-102
0.449
LON-WEI-4d77710c-38
0.449
LON-WEI-5e7d1b3e-38
0.449
LON-WEI-5e7d1b3e-55
0.449
LON-WEI-4d77710c-55
0.449
MAT-POS-2492181e-10
0.449
LON-WEI-5e7d1b3e-34
0.442
MAT-POS-b5746674-101
0.442
LON-WEI-4d77710c-34
0.442
LON-WEI-5e7d1b3e-54
0.442
MAT-POS-b5746674-107
0.442
LON-WEI-4d77710c-54
0.442
MAT-POS-b5746674-103
0.427
MAT-POS-b5746674-106
0.426
LON-WEI-4d77710c-53
0.408
LON-WEI-5e7d1b3e-53
0.408
MAT-POS-af71705c-1
0.375
LON-WEI-5e7d1b3e-49
0.340
LON-WEI-4d77710c-49
0.340
LON-WEI-4d77710c-12
0.330
LON-WEI-5e7d1b3e-12
0.330
LON-WEI-120e5cf5-21
0.330
MAK-UNK-90d0606b-9
0.323
MAT-POS-4211dce8-1
0.323
LON-WEI-5e7d1b3e-23
0.320
LON-WEI-4d77710c-23
0.320
LON-WEI-4d77710c-36
0.320
LON-WEI-5e7d1b3e-36
0.320
LON-WEI-4d77710c-6
0.319
LON-WEI-5e7d1b3e-6
0.319
LON-WEI-4d77710c-37
0.310
LON-WEI-5e7d1b3e-37
0.310
LON-WEI-4d77710c-18
0.309
LON-WEI-5e7d1b3e-18
0.309
LON-WEI-5e7d1b3e-39
0.300
LON-WEI-4d77710c-39
0.300
LON-WEI-4d77710c-47
0.299
MAT-POS-b5746674-42
0.299
LON-WEI-5e7d1b3e-47
0.299
LON-WEI-4d77710c-5
0.296