Molecular Properties | |
SMILES: | Cn1cc(NC(=O)NCCc2ccc(Cl)cc2)c2ccccc2c1=O |
MW: | 355.11 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 63.13 |
cLogP: | 3.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1404207051 |
MolPort: | MolPort-007-753-296 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-5e7d1b3e-52
1.000
LON-WEI-4d77710c-52
1.000
LON-WEI-5e7d1b3e-17
0.667
MAT-POS-2492181e-5
0.667
LON-WEI-4d77710c-17
0.667
LON-WEI-4d77710c-31
0.667
LON-WEI-5e7d1b3e-31
0.667
MAT-POS-2492181e-4
0.667
MAT-POS-2492181e-2
0.600
MAT-POS-2492181e-3
0.579
MAT-POS-4211dce8-1
0.526
LON-WEI-5e7d1b3e-49
0.506
LON-WEI-4d77710c-49
0.506
LON-WEI-5e7d1b3e-7
0.489
LON-WEI-4d77710c-7
0.489
MAT-POS-b5746674-98
0.489
LON-WEI-4d77710c-1
0.483
LON-WEI-5e7d1b3e-1
0.483
LON-WEI-5e7d1b3e-18
0.482
LON-WEI-4d77710c-18
0.482
LON-WEI-4d77710c-6
0.481
LON-WEI-5e7d1b3e-6
0.481
MAT-POS-af71705c-1
0.481
MAT-POS-3b92565d-7
0.476
LON-WEI-5e7d1b3e-36
0.476
LON-WEI-4d77710c-36
0.476
LON-WEI-5e7d1b3e-50
0.473
MAT-POS-b5746674-34
0.473
LON-WEI-4d77710c-50
0.473
MAT-POS-b5746674-35
0.469
LON-WEI-4d77710c-23
0.459
LON-WEI-5e7d1b3e-23
0.459
LON-WEI-5e7d1b3e-12
0.453
LON-WEI-4d77710c-12
0.453
MAT-POS-3b92565d-8
0.448
LON-WEI-4d77710c-39
0.448
LON-WEI-5e7d1b3e-39
0.448
LON-WEI-4d77710c-5
0.447
LON-WEI-5e7d1b3e-5
0.447
LON-WEI-4d77710c-37
0.443
LON-WEI-5e7d1b3e-37
0.443
MAT-POS-b5746674-42
0.419
LON-WEI-5e7d1b3e-47
0.419
LON-WEI-4d77710c-47
0.419
MAT-POS-b5746674-97
0.418
LON-WEI-4d77710c-46
0.418
LON-WEI-5e7d1b3e-46
0.418
MAT-POS-3b92565d-9
0.398
LON-WEI-5e7d1b3e-40
0.396
LON-WEI-5e7d1b3e-51
0.396
LON-WEI-4d77710c-40
0.396
LON-WEI-4d77710c-51
0.396
MAT-POS-2492181e-11
0.394
LON-WEI-4d77710c-16
0.394
LON-WEI-5e7d1b3e-16
0.394
MAT-POS-b5746674-109
0.394
LON-WEI-4d77710c-45
0.393
LON-WEI-5e7d1b3e-45
0.393
MAT-POS-b5746674-36
0.393
LON-WEI-5e7d1b3e-48
0.380
LON-WEI-4d77710c-48
0.380
MAT-POS-2492181e-7
0.375
LON-WEI-4d77710c-20
0.370
LON-WEI-5e7d1b3e-20
0.370
MAT-POS-2492181e-12
0.370
MAT-POS-2492181e-10
0.366
MAT-POS-b5746674-100
0.364
LON-WEI-5e7d1b3e-15
0.364
LON-WEI-4d77710c-15
0.364
LON-WEI-5e7d1b3e-60
0.360
LON-WEI-4d77710c-60
0.360
MAT-POS-2492181e-6
0.360
MAT-POS-b5746674-38
0.350
LON-WEI-4d77710c-57
0.350
LON-WEI-5e7d1b3e-57
0.350
LON-WEI-4d77710c-33
0.340
LON-WEI-5e7d1b3e-33
0.340
MAT-POS-b5746674-102
0.340
LON-WEI-5e7d1b3e-38
0.340
LON-WEI-4d77710c-38
0.340
LON-WEI-5e7d1b3e-59
0.337
MAT-POS-b5746674-37
0.337
LON-WEI-4d77710c-59
0.337
LON-WEI-5e7d1b3e-55
0.327
LON-WEI-4d77710c-55
0.327
LON-WEI-4d77710c-44
0.323
LON-WEI-5e7d1b3e-44
0.323
LON-WEI-5e7d1b3e-9
0.316
LON-WEI-4d77710c-9
0.316
LON-WEI-5e7d1b3e-13
0.313
LON-WEI-4d77710c-13
0.313
LON-WEI-4d77710c-22
0.312
LON-WEI-5e7d1b3e-22
0.312
LON-WEI-4d77710c-28
0.311
LON-WEI-5e7d1b3e-28
0.311
LON-WEI-5e7d1b3e-43
0.310
LON-WEI-4d77710c-43
0.310
LON-WEI-5e7d1b3e-35
0.309
MAT-POS-b5746674-108
0.309
LON-WEI-4d77710c-35
0.309