Molecular Properties | |
SMILES: | CCOC(=O)c1ccc(NC(=O)Nc2cn(C)c(=O)c3ccccc23)cc1 |
MW: | 365.14 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 89.43 |
cLogP: | 3.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7545012605 |
MolPort: | MolPort-007-753-345 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
Ester
LON-WEI-4d77710c-12
1.000
LON-WEI-4d77710c-37
0.600
LON-WEI-5e7d1b3e-37
0.600
LON-WEI-5e7d1b3e-6
0.571
LON-WEI-4d77710c-6
0.571
LON-WEI-5e7d1b3e-5
0.550
LON-WEI-4d77710c-5
0.550
LON-WEI-5e7d1b3e-23
0.524
LON-WEI-4d77710c-23
0.524
LON-WEI-4d77710c-46
0.494
MAT-POS-b5746674-97
0.494
LON-WEI-5e7d1b3e-46
0.494
MAT-POS-af71705c-1
0.494
LON-WEI-4d77710c-36
0.488
LON-WEI-5e7d1b3e-36
0.488
LON-WEI-4d77710c-18
0.476
LON-WEI-5e7d1b3e-18
0.476
MAT-POS-2492181e-2
0.476
MAT-POS-2492181e-3
0.476
LON-WEI-4d77710c-47
0.464
LON-WEI-5e7d1b3e-47
0.464
MAT-POS-b5746674-42
0.464
MAT-POS-2492181e-1
0.453
LON-WEI-4d77710c-52
0.453
LON-WEI-5e7d1b3e-52
0.453
LON-WEI-5e7d1b3e-31
0.448
LON-WEI-4d77710c-31
0.448
MAT-POS-2492181e-5
0.448
LON-WEI-4d77710c-49
0.447
LON-WEI-5e7d1b3e-49
0.447
MAT-POS-4211dce8-1
0.446
LON-WEI-5e7d1b3e-1
0.444
LON-WEI-4d77710c-1
0.444
MAT-POS-3b92565d-7
0.437
MAT-POS-3b92565d-8
0.427
LON-WEI-5e7d1b3e-39
0.427
LON-WEI-4d77710c-39
0.427
LON-WEI-4d77710c-50
0.394
MAT-POS-b5746674-34
0.394
LON-WEI-5e7d1b3e-50
0.394
LON-WEI-4d77710c-7
0.392
LON-WEI-5e7d1b3e-7
0.392
MAT-POS-b5746674-98
0.392
LON-WEI-4d77710c-45
0.389
LON-WEI-5e7d1b3e-45
0.389
MAT-POS-b5746674-36
0.389
MAT-POS-3b92565d-9
0.380
MAT-POS-2492181e-8
0.370
MAT-POS-b5746674-35
0.365
LON-WEI-4d77710c-33
0.364
LON-WEI-5e7d1b3e-33
0.364
MAT-POS-2492181e-9
0.363
LON-WEI-4d77710c-74
0.362
LON-WEI-5e7d1b3e-74
0.362
LON-WEI-5e7d1b3e-59
0.359
MAT-POS-b5746674-37
0.359
LON-WEI-4d77710c-59
0.359
LON-WEI-5e7d1b3e-57
0.359
LON-WEI-4d77710c-57
0.359
MAT-POS-b5746674-38
0.359
LON-WEI-4d77710c-22
0.351
LON-WEI-5e7d1b3e-22
0.351
LON-WEI-5e7d1b3e-29
0.343
LON-WEI-4d77710c-29
0.343
MAR-TRE-0fda4e82-72
0.337
LON-WEI-5e7d1b3e-21
0.330
LON-WEI-4d77710c-21
0.330
LON-WEI-5e7d1b3e-56
0.327
LON-WEI-4d77710c-56
0.327
LON-WEI-4d77710c-9
0.326
LON-WEI-5e7d1b3e-9
0.326
LON-WEI-4d77710c-43
0.320
LON-WEI-5e7d1b3e-43
0.320
LON-WEI-4d77710c-4
0.320
LON-WEI-5e7d1b3e-4
0.320
MAT-POS-af71705c-2
0.314
TRY-UNI-714a760b-8
0.313
LON-WEI-4d77710c-30
0.301
LON-WEI-5e7d1b3e-30
0.301
MAT-POS-2492181e-12
0.296
LON-WEI-5e7d1b3e-15
0.295
LON-WEI-4d77710c-15
0.295
MAT-POS-b5746674-100
0.295
LON-WEI-5e7d1b3e-27
0.289
LON-WEI-4d77710c-27
0.289
LON-WEI-5e7d1b3e-58
0.288
LON-WEI-4d77710c-58
0.288
LON-WEI-5e7d1b3e-38
0.287
LON-WEI-4d77710c-55
0.287
LON-WEI-4d77710c-38
0.287
MAT-POS-b5746674-102
0.287
LON-WEI-5e7d1b3e-48
0.287
LON-WEI-4d77710c-48
0.287
LON-WEI-5e7d1b3e-55
0.287
LON-WEI-4d77710c-51
0.286
LON-WEI-5e7d1b3e-51
0.286
LON-WEI-5e7d1b3e-17
0.284
LON-WEI-4d77710c-17
0.284
MAT-POS-2492181e-4
0.284
LON-WEI-4d77710c-13
0.284