Molecular Properties | |
SMILES: | COc1ccc(OC)c(CNC(=O)Nc2cn(C)c(=O)c3ccccc23)c1 |
MW: | 367.15 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 81.59 |
cLogP: | 2.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8731464122 |
MolPort: | MolPort-007-753-324 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-4d77710c-1
1.000
LON-WEI-4d77710c-28
0.687
LON-WEI-5e7d1b3e-28
0.687
LON-WEI-4d77710c-18
0.580
LON-WEI-5e7d1b3e-18
0.580
LON-WEI-4d77710c-49
0.568
LON-WEI-5e7d1b3e-49
0.568
LON-WEI-5e7d1b3e-5
0.524
LON-WEI-4d77710c-5
0.524
LON-WEI-4d77710c-36
0.518
LON-WEI-5e7d1b3e-36
0.518
MAT-POS-3b92565d-7
0.518
MAT-POS-2492181e-3
0.506
MAT-POS-2492181e-2
0.506
LON-WEI-4d77710c-48
0.490
LON-WEI-5e7d1b3e-48
0.490
MAT-POS-3b92565d-8
0.489
MAT-POS-2492181e-1
0.483
LON-WEI-5e7d1b3e-52
0.483
LON-WEI-4d77710c-52
0.483
LON-WEI-5e7d1b3e-31
0.477
MAT-POS-2492181e-5
0.477
LON-WEI-4d77710c-31
0.477
MAT-POS-af71705c-1
0.452
LON-WEI-5e7d1b3e-12
0.444
LON-WEI-4d77710c-12
0.444
MAT-POS-4211dce8-1
0.442
LON-WEI-4d77710c-6
0.437
LON-WEI-5e7d1b3e-6
0.437
LON-WEI-4d77710c-37
0.435
LON-WEI-5e7d1b3e-37
0.435
LON-WEI-4d77710c-7
0.433
LON-WEI-5e7d1b3e-7
0.433
MAT-POS-b5746674-98
0.433
LON-WEI-5e7d1b3e-47
0.427
LON-WEI-4d77710c-47
0.427
MAT-POS-b5746674-42
0.427
LON-WEI-5e7d1b3e-46
0.426
MAT-POS-b5746674-97
0.426
LON-WEI-4d77710c-46
0.426
LON-WEI-4d77710c-39
0.424
LON-WEI-5e7d1b3e-39
0.424
MAT-POS-b5746674-34
0.420
LON-WEI-4d77710c-50
0.420
LON-WEI-5e7d1b3e-50
0.420
LON-WEI-4d77710c-33
0.418
LON-WEI-5e7d1b3e-33
0.418
LON-WEI-4d77710c-23
0.418
LON-WEI-5e7d1b3e-23
0.418
MAR-TRE-9c797165-25
0.404
MAT-POS-b5746674-35
0.404
MAT-POS-3b92565d-9
0.392
LON-WEI-4d77710c-45
0.372
LON-WEI-5e7d1b3e-45
0.372
MAT-POS-b5746674-36
0.372
MAR-TRE-7f7bb9f0-73
0.355
LON-WEI-5e7d1b3e-55
0.349
LON-WEI-4d77710c-55
0.349
LON-WEI-4d77710c-44
0.347
LON-WEI-5e7d1b3e-44
0.347
LON-WEI-5e7d1b3e-43
0.347
LON-WEI-4d77710c-43
0.347
LON-WEI-4d77710c-59
0.346
MAT-POS-b5746674-37
0.346
LON-WEI-5e7d1b3e-59
0.346
LON-WEI-4d77710c-58
0.336
LON-WEI-5e7d1b3e-58
0.336
MAT-POS-b5746674-38
0.333
LON-WEI-4d77710c-57
0.333
LON-WEI-5e7d1b3e-57
0.333
MAT-POS-2492181e-12
0.323
LON-WEI-5e7d1b3e-15
0.321
LON-WEI-4d77710c-15
0.321
MAT-POS-b5746674-100
0.321
LON-WEI-5e7d1b3e-60
0.318
LON-WEI-4d77710c-60
0.318
MAT-POS-2492181e-6
0.318
MAT-POS-2492181e-7
0.317
LON-WEI-5e7d1b3e-9
0.313
LON-WEI-4d77710c-9
0.313
MAT-POS-2492181e-10
0.312
LON-WEI-4d77710c-51
0.311
LON-WEI-5e7d1b3e-51
0.311
LON-WEI-4d77710c-17
0.311
LON-WEI-5e7d1b3e-17
0.311
MAT-POS-2492181e-4
0.311
LON-WEI-5e7d1b3e-13
0.311
LON-WEI-4d77710c-13
0.311
MAT-POS-b5746674-109
0.308
MAT-POS-2492181e-11
0.308
LON-WEI-4d77710c-16
0.308
LON-WEI-5e7d1b3e-16
0.308
LON-WEI-5e7d1b3e-56
0.301
LON-WEI-4d77710c-56
0.301
LON-WEI-5e7d1b3e-38
0.300
MAT-POS-b5746674-102
0.300
LON-WEI-4d77710c-38
0.300
LON-WEI-4d77710c-40
0.299
LON-WEI-5e7d1b3e-40
0.299
MAT-POS-3b92565d-4
0.291