Molecular Properties | |
SMILES: | COc1cc(Cl)c(C)cc1NC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 |
MW: | 413.15 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 72.36 |
cLogP: | 5.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8430908736 |
MolPort: | MolPort-007-773-006 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-5e7d1b3e-43
1.000
LON-WEI-4d77710c-36
0.658
LON-WEI-5e7d1b3e-36
0.658
LON-WEI-4d77710c-9
0.630
LON-WEI-5e7d1b3e-9
0.630
LON-WEI-5e7d1b3e-4
0.576
LON-WEI-4d77710c-4
0.576
LON-WEI-5e7d1b3e-56
0.563
LON-WEI-4d77710c-56
0.563
LON-WEI-4d77710c-28
0.560
LON-WEI-5e7d1b3e-28
0.560
LON-WEI-4d77710c-21
0.552
LON-WEI-5e7d1b3e-21
0.552
LON-WEI-5e7d1b3e-48
0.543
LON-WEI-4d77710c-48
0.543
LON-WEI-5e7d1b3e-58
0.536
LON-WEI-4d77710c-58
0.536
LON-WEI-5e7d1b3e-22
0.529
LON-WEI-4d77710c-22
0.529
LON-WEI-4d77710c-27
0.523
LON-WEI-5e7d1b3e-27
0.523
MAT-POS-2492181e-4
0.522
LON-WEI-4d77710c-17
0.522
LON-WEI-5e7d1b3e-17
0.522
LON-WEI-4d77710c-13
0.522
LON-WEI-5e7d1b3e-13
0.522
MAT-POS-2492181e-12
0.494
MAT-POS-2492181e-8
0.490
LON-WEI-5e7d1b3e-30
0.489
MAT-POS-af71705c-2
0.489
LON-WEI-4d77710c-30
0.489
LON-WEI-4d77710c-44
0.489
LON-WEI-5e7d1b3e-44
0.489
LON-WEI-4d77710c-29
0.485
LON-WEI-5e7d1b3e-29
0.485
LON-WEI-5e7d1b3e-51
0.484
LON-WEI-4d77710c-51
0.484
MAT-POS-2492181e-9
0.480
MAT-POS-2492181e-7
0.479
MAT-POS-b5746674-105
0.469
MAT-POS-2492181e-11
0.468
LON-WEI-4d77710c-16
0.468
LON-WEI-5e7d1b3e-16
0.468
MAT-POS-b5746674-109
0.468
MAT-POS-b5746674-104
0.462
MAT-POS-2492181e-6
0.459
LON-WEI-5e7d1b3e-60
0.459
LON-WEI-4d77710c-60
0.459
LON-WEI-4d77710c-54
0.458
LON-WEI-5e7d1b3e-54
0.458
MAT-POS-b5746674-107
0.458
LON-WEI-4d77710c-42
0.455
LON-WEI-5e7d1b3e-42
0.455
LON-WEI-5e7d1b3e-40
0.454
LON-WEI-4d77710c-40
0.454
MAT-POS-b5746674-110
0.453
MAT-POS-b5746674-108
0.452
LON-WEI-5e7d1b3e-35
0.452
LON-WEI-4d77710c-35
0.452
MAT-POS-2492181e-10
0.450
LON-WEI-5e7d1b3e-55
0.450
LON-WEI-4d77710c-55
0.450
LON-WEI-4d77710c-15
0.449
LON-WEI-5e7d1b3e-15
0.449
MAT-POS-b5746674-100
0.449
MAT-POS-b5746674-101
0.443
LON-WEI-4d77710c-34
0.443
LON-WEI-5e7d1b3e-34
0.443
LON-WEI-4d77710c-20
0.440
LON-WEI-5e7d1b3e-20
0.440
MAT-POS-b5746674-102
0.436
LON-WEI-4d77710c-38
0.436
LON-WEI-5e7d1b3e-38
0.436
LON-WEI-4d77710c-18
0.429
LON-WEI-5e7d1b3e-18
0.429
MAT-POS-b5746674-103
0.429
MAT-POS-b5746674-106
0.427
MAT-POS-b5746674-99
0.424
LON-WEI-5e7d1b3e-53
0.423
LON-WEI-4d77710c-53
0.423
LON-WEI-4d77710c-5
0.368
LON-WEI-5e7d1b3e-5
0.368
MAT-POS-3b92565d-7
0.351
LON-WEI-5e7d1b3e-1
0.347
LON-WEI-4d77710c-1
0.347
MAT-POS-3b92565d-8
0.330
LON-WEI-4d77710c-12
0.320
LON-WEI-5e7d1b3e-12
0.320
MAT-POS-af71705c-1
0.319
LON-WEI-5e7d1b3e-33
0.318
LON-WEI-4d77710c-33
0.318
LON-WEI-4d77710c-52
0.310
LON-WEI-5e7d1b3e-52
0.310
MAT-POS-2492181e-1
0.310
LON-WEI-5e7d1b3e-6
0.309
LON-WEI-4d77710c-6
0.309
LON-WEI-4d77710c-47
0.303
LON-WEI-5e7d1b3e-47
0.303
MAT-POS-b5746674-42
0.303
LON-WEI-5e7d1b3e-37
0.301