Molecular Properties | |
SMILES: | COc1ccc(NC(=O)Nc2cn(C)c(=O)c3ccccc23)c(OC)c1 |
MW: | 353.14 |
Fraction sp3: | 0.16 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 81.59 |
cLogP: | 3.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8615089392 |
MolPort: | MolPort-007-753-209 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-4d77710c-18
1.000
LON-WEI-5e7d1b3e-36
0.662
LON-WEI-4d77710c-36
0.662
LON-WEI-5e7d1b3e-5
0.584
LON-WEI-4d77710c-5
0.584
LON-WEI-4d77710c-1
0.580
LON-WEI-5e7d1b3e-1
0.580
MAT-POS-af71705c-1
0.526
MAT-POS-3b92565d-8
0.524
MAT-POS-3b92565d-7
0.519
LON-WEI-4d77710c-6
0.506
LON-WEI-5e7d1b3e-6
0.506
LON-WEI-4d77710c-49
0.494
LON-WEI-5e7d1b3e-49
0.494
LON-WEI-5e7d1b3e-23
0.482
LON-WEI-4d77710c-23
0.482
MAT-POS-2492181e-1
0.482
LON-WEI-5e7d1b3e-52
0.482
LON-WEI-4d77710c-52
0.482
LON-WEI-5e7d1b3e-12
0.476
LON-WEI-4d77710c-12
0.476
LON-WEI-5e7d1b3e-33
0.462
LON-WEI-4d77710c-33
0.462
MAT-POS-2492181e-2
0.451
MAT-POS-2492181e-3
0.451
LON-WEI-5e7d1b3e-37
0.448
LON-WEI-4d77710c-37
0.448
MAT-POS-4211dce8-1
0.439
LON-WEI-4d77710c-46
0.438
MAT-POS-b5746674-97
0.438
LON-WEI-5e7d1b3e-46
0.438
LON-WEI-4d77710c-39
0.437
LON-WEI-5e7d1b3e-39
0.437
LON-WEI-4d77710c-43
0.429
LON-WEI-5e7d1b3e-43
0.429
LON-WEI-5e7d1b3e-31
0.425
LON-WEI-4d77710c-31
0.425
MAT-POS-2492181e-5
0.425
MAT-POS-3b92565d-9
0.417
LON-WEI-5e7d1b3e-47
0.407
MAT-POS-b5746674-42
0.407
LON-WEI-4d77710c-47
0.407
MAT-POS-b5746674-98
0.385
LON-WEI-5e7d1b3e-7
0.385
LON-WEI-4d77710c-7
0.385
LON-WEI-5e7d1b3e-45
0.382
LON-WEI-4d77710c-45
0.382
MAT-POS-b5746674-36
0.382
LON-WEI-5e7d1b3e-28
0.381
LON-WEI-4d77710c-28
0.381
LON-WEI-5e7d1b3e-50
0.374
MAT-POS-b5746674-34
0.374
LON-WEI-4d77710c-50
0.374
MAT-POS-b5746674-35
0.373
LON-WEI-5e7d1b3e-48
0.370
LON-WEI-4d77710c-48
0.370
LON-WEI-4d77710c-58
0.369
LON-WEI-5e7d1b3e-58
0.369
LON-WEI-5e7d1b3e-59
0.366
MAT-POS-b5746674-37
0.366
LON-WEI-4d77710c-59
0.366
MAR-TRE-a78003aa-45
0.360
MAT-POS-b5746674-38
0.353
LON-WEI-5e7d1b3e-57
0.353
LON-WEI-4d77710c-57
0.353
LON-WEI-4d77710c-9
0.348
LON-WEI-5e7d1b3e-9
0.348
LON-WEI-5e7d1b3e-56
0.347
LON-WEI-4d77710c-56
0.347
LON-WEI-4d77710c-4
0.340
LON-WEI-5e7d1b3e-4
0.340
MAR-TRE-3e4e6814-6
0.337
LON-WEI-5e7d1b3e-21
0.309
LON-WEI-4d77710c-21
0.309
LON-WEI-5e7d1b3e-30
0.307
LON-WEI-4d77710c-30
0.307
MAT-POS-2492181e-4
0.303
LON-WEI-4d77710c-17
0.303
LON-WEI-5e7d1b3e-17
0.303
LON-WEI-4d77710c-22
0.302
LON-WEI-5e7d1b3e-22
0.302
LON-WEI-4d77710c-29
0.299
LON-WEI-5e7d1b3e-29
0.299
MAT-POS-b5746674-106
0.299
LON-WEI-5e7d1b3e-27
0.295
LON-WEI-4d77710c-27
0.295
LON-WEI-4d77710c-13
0.290
LON-WEI-5e7d1b3e-13
0.290
LON-WEI-5e7d1b3e-44
0.286
LON-WEI-4d77710c-44
0.286
MAT-POS-2492181e-6
0.286
LON-WEI-4d77710c-60
0.286
MAT-POS-2492181e-8
0.286
LON-WEI-5e7d1b3e-60
0.286
MAT-POS-2492181e-7
0.284
MAT-POS-3b92565d-4
0.283
MAT-POS-e1b5ac6b-2
0.283
LON-WEI-adc59df6-45
0.282
MAT-POS-af71705c-2
0.282
MAT-POS-2492181e-10
0.280