Molecular Properties | |
SMILES: | COc1ccc(OC)c(CNC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)c1 |
MW: | 409.2 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 81.59 |
cLogP: | 4.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8357408891 |
MolPort: | MolPort-007-773-065 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-5e7d1b3e-28
1.000
LON-WEI-5e7d1b3e-48
0.733
LON-WEI-4d77710c-48
0.733
LON-WEI-5e7d1b3e-1
0.687
LON-WEI-4d77710c-1
0.687
LON-WEI-4d77710c-44
0.568
LON-WEI-5e7d1b3e-44
0.568
LON-WEI-5e7d1b3e-43
0.560
LON-WEI-4d77710c-43
0.560
MAT-POS-2492181e-12
0.539
LON-WEI-4d77710c-55
0.536
LON-WEI-5e7d1b3e-55
0.536
LON-WEI-4d77710c-9
0.528
LON-WEI-5e7d1b3e-9
0.528
LON-WEI-4d77710c-17
0.516
LON-WEI-5e7d1b3e-17
0.516
LON-WEI-5e7d1b3e-13
0.516
LON-WEI-4d77710c-13
0.516
MAT-POS-2492181e-4
0.516
LON-WEI-5e7d1b3e-58
0.515
LON-WEI-4d77710c-58
0.515
LON-WEI-5e7d1b3e-56
0.505
LON-WEI-4d77710c-56
0.505
MAT-POS-2492181e-7
0.505
LON-WEI-5e7d1b3e-27
0.500
LON-WEI-4d77710c-27
0.500
LON-WEI-5e7d1b3e-40
0.495
LON-WEI-4d77710c-51
0.495
LON-WEI-4d77710c-40
0.495
LON-WEI-5e7d1b3e-51
0.495
MAT-POS-2492181e-11
0.495
LON-WEI-5e7d1b3e-16
0.495
LON-WEI-4d77710c-16
0.495
MAT-POS-b5746674-109
0.495
LON-WEI-4d77710c-15
0.490
MAT-POS-b5746674-100
0.490
LON-WEI-5e7d1b3e-15
0.490
MAT-POS-2492181e-6
0.485
LON-WEI-4d77710c-60
0.485
LON-WEI-5e7d1b3e-60
0.485
LON-WEI-5e7d1b3e-4
0.484
LON-WEI-4d77710c-4
0.484
LON-WEI-5e7d1b3e-20
0.480
LON-WEI-4d77710c-20
0.480
LON-WEI-4d77710c-38
0.475
MAT-POS-b5746674-102
0.475
MAT-POS-2492181e-10
0.475
LON-WEI-5e7d1b3e-38
0.475
LON-WEI-4d77710c-22
0.473
LON-WEI-5e7d1b3e-22
0.473
LON-WEI-5e7d1b3e-21
0.463
LON-WEI-4d77710c-21
0.463
LON-WEI-5e7d1b3e-29
0.452
LON-WEI-4d77710c-29
0.452
LON-WEI-4d77710c-42
0.451
LON-WEI-5e7d1b3e-42
0.451
MAT-POS-b5746674-104
0.443
MAT-POS-af71705c-2
0.440
LON-WEI-4d77710c-30
0.440
LON-WEI-5e7d1b3e-30
0.440
MAT-POS-b5746674-108
0.435
LON-WEI-5e7d1b3e-35
0.435
LON-WEI-4d77710c-35
0.435
MAT-POS-2492181e-9
0.433
MAT-POS-2492181e-8
0.427
LON-WEI-5e7d1b3e-34
0.426
MAT-POS-b5746674-101
0.426
LON-WEI-4d77710c-34
0.426
MAT-POS-b5746674-105
0.423
LON-WEI-5e7d1b3e-54
0.412
LON-WEI-4d77710c-54
0.412
MAT-POS-b5746674-107
0.412
MAT-POS-b5746674-106
0.411
MAT-POS-b5746674-99
0.408
LON-WEI-5e7d1b3e-53
0.407
LON-WEI-4d77710c-53
0.407
MAT-POS-b5746674-110
0.406
MAT-POS-b5746674-103
0.398
LON-WEI-4d77710c-18
0.381
LON-WEI-5e7d1b3e-18
0.381
LON-WEI-4d77710c-49
0.371
LON-WEI-5e7d1b3e-49
0.371
MAR-TRE-9c797165-25
0.368
MAT-POS-3b92565d-7
0.350
LON-WEI-4d77710c-5
0.340
LON-WEI-5e7d1b3e-5
0.340
LON-WEI-5e7d1b3e-36
0.337
LON-WEI-4d77710c-36
0.337
MAT-POS-3b92565d-8
0.330
MAR-TRE-7f7bb9f0-73
0.325
MAT-POS-2492181e-2
0.323
MAT-POS-2492181e-3
0.323
MAT-POS-2492181e-1
0.311
LON-WEI-5e7d1b3e-52
0.311
LON-WEI-4d77710c-52
0.311
LON-WEI-5e7d1b3e-31
0.308
LON-WEI-4d77710c-31
0.308
MAT-POS-2492181e-5
0.308
LON-WEI-4d77710c-47
0.304
LON-WEI-5e7d1b3e-47
0.304