Molecular Properties | |
SMILES: | CCOC(=O)Cc1csc(NC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)n1 |
MW: | 428.15 |
Fraction sp3: | 0.33 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 102.32 |
cLogP: | 3.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1245792270 |
MolPort: | MolPort-007-773-178 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Carboxylic acid esters
Filter82_pyridinium
aliphatic ester, not lactones
Ester
aminothiazole
LON-WEI-4d77710c-29
1.000
LON-WEI-4d77710c-30
0.536
LON-WEI-5e7d1b3e-30
0.536
LON-WEI-4d77710c-56
0.526
LON-WEI-5e7d1b3e-56
0.526
LON-WEI-4d77710c-9
0.516
LON-WEI-5e7d1b3e-9
0.516
LON-WEI-4d77710c-58
0.505
LON-WEI-5e7d1b3e-58
0.505
LON-WEI-4d77710c-21
0.500
LON-WEI-5e7d1b3e-21
0.500
LON-WEI-4d77710c-22
0.495
LON-WEI-5e7d1b3e-22
0.495
LON-WEI-5e7d1b3e-4
0.490
LON-WEI-4d77710c-4
0.490
LON-WEI-4d77710c-43
0.485
LON-WEI-5e7d1b3e-43
0.485
MAT-POS-2492181e-12
0.464
MAT-POS-af71705c-2
0.461
LON-WEI-4d77710c-27
0.458
LON-WEI-5e7d1b3e-27
0.458
LON-WEI-4d77710c-28
0.452
LON-WEI-5e7d1b3e-28
0.452
MAT-POS-2492181e-4
0.446
LON-WEI-5e7d1b3e-17
0.446
LON-WEI-4d77710c-17
0.446
LON-WEI-4d77710c-13
0.446
LON-WEI-5e7d1b3e-13
0.446
LON-WEI-4d77710c-44
0.444
LON-WEI-5e7d1b3e-44
0.444
LON-WEI-5e7d1b3e-51
0.442
LON-WEI-4d77710c-51
0.442
LON-WEI-5e7d1b3e-48
0.439
LON-WEI-4d77710c-48
0.439
MAT-POS-2492181e-8
0.434
LON-WEI-5e7d1b3e-20
0.430
LON-WEI-4d77710c-20
0.430
MAT-POS-2492181e-11
0.427
LON-WEI-5e7d1b3e-16
0.427
LON-WEI-4d77710c-16
0.427
MAT-POS-b5746674-109
0.427
MAT-POS-2492181e-9
0.426
MAT-POS-2492181e-7
0.423
MAT-POS-b5746674-105
0.417
LON-WEI-5e7d1b3e-42
0.417
LON-WEI-4d77710c-42
0.417
LON-WEI-4d77710c-40
0.415
LON-WEI-5e7d1b3e-40
0.415
MAT-POS-b5746674-102
0.413
LON-WEI-4d77710c-38
0.413
LON-WEI-5e7d1b3e-55
0.413
LON-WEI-4d77710c-55
0.413
LON-WEI-5e7d1b3e-38
0.413
MAT-POS-b5746674-100
0.411
LON-WEI-5e7d1b3e-15
0.411
LON-WEI-4d77710c-15
0.411
MAT-POS-b5746674-104
0.408
MAT-POS-2492181e-6
0.407
LON-WEI-5e7d1b3e-60
0.407
LON-WEI-4d77710c-60
0.407
MAT-POS-b5746674-108
0.404
LON-WEI-4d77710c-35
0.404
LON-WEI-5e7d1b3e-35
0.404
MAT-POS-b5746674-99
0.402
MAT-POS-2492181e-10
0.400
MAT-POS-b5746674-110
0.400
MAT-POS-b5746674-106
0.393
LON-WEI-5e7d1b3e-54
0.393
MAT-POS-b5746674-107
0.393
LON-WEI-4d77710c-54
0.393
LON-WEI-5e7d1b3e-34
0.380
MAT-POS-b5746674-101
0.380
LON-WEI-4d77710c-34
0.380
MAT-POS-b5746674-103
0.380
LON-WEI-4d77710c-53
0.377
LON-WEI-5e7d1b3e-53
0.377
MAR-TRE-87acfbcc-65
0.356
LON-WEI-4d77710c-12
0.343
LON-WEI-5e7d1b3e-12
0.343
MAT-POS-b5746674-42
0.314
LON-WEI-4d77710c-47
0.314
LON-WEI-5e7d1b3e-47
0.314
LON-WEI-5e7d1b3e-46
0.306
MAT-POS-b5746674-97
0.306
LON-WEI-4d77710c-46
0.306
MAT-POS-af71705c-1
0.304
LON-WEI-5e7d1b3e-39
0.303
LON-WEI-4d77710c-39
0.303
LON-WEI-5e7d1b3e-49
0.302
LON-WEI-4d77710c-49
0.302
LON-WEI-4d77710c-37
0.300
LON-WEI-5e7d1b3e-37
0.300
LON-WEI-4d77710c-5
0.299
LON-WEI-5e7d1b3e-5
0.299
LON-WEI-4d77710c-18
0.299
LON-WEI-5e7d1b3e-18
0.299
LON-WEI-4d77710c-36
0.296
LON-WEI-5e7d1b3e-36
0.296
LON-WEI-5e7d1b3e-31
0.294
MAT-POS-2492181e-5
0.294