Molecular Properties | |
SMILES: | CCOC(=O)N1CCC(NC(=O)Nc2cn(C)c(=O)c3ccccc23)CC1 |
MW: | 372.18 |
Fraction sp3: | 0.42 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 92.67 |
cLogP: | 2.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7072284931 |
MolPort: | MolPort-007-753-309 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
carbamate include di-substitued N
LON-WEI-4d77710c-46
1.000
MAT-POS-b5746674-97
1.000
LON-WEI-4d77710c-12
0.494
LON-WEI-5e7d1b3e-12
0.494
MAT-POS-2492181e-2
0.471
MAT-POS-2492181e-3
0.453
MAT-POS-af71705c-1
0.452
LON-WEI-4d77710c-36
0.449
LON-WEI-5e7d1b3e-36
0.449
LON-WEI-5e7d1b3e-47
0.443
MAT-POS-b5746674-42
0.443
LON-WEI-4d77710c-47
0.443
LON-WEI-5e7d1b3e-18
0.438
LON-WEI-4d77710c-18
0.438
LON-WEI-4d77710c-27
0.433
LON-WEI-5e7d1b3e-27
0.433
LON-WEI-5e7d1b3e-31
0.429
LON-WEI-4d77710c-31
0.429
MAT-POS-2492181e-5
0.429
LON-WEI-5e7d1b3e-49
0.427
LON-WEI-4d77710c-49
0.427
LON-WEI-5e7d1b3e-1
0.426
LON-WEI-4d77710c-1
0.426
LON-WEI-4d77710c-5
0.422
LON-WEI-5e7d1b3e-5
0.422
LON-WEI-5e7d1b3e-6
0.420
LON-WEI-4d77710c-6
0.420
MAT-POS-b5746674-105
0.420
LON-WEI-4d77710c-37
0.419
LON-WEI-5e7d1b3e-37
0.419
LON-WEI-4d77710c-52
0.418
MAT-POS-2492181e-1
0.418
LON-WEI-5e7d1b3e-52
0.418
MAT-POS-3b92565d-7
0.418
MAT-POS-4211dce8-1
0.409
LON-WEI-4d77710c-39
0.409
LON-WEI-5e7d1b3e-39
0.409
LON-WEI-5e7d1b3e-7
0.404
MAT-POS-b5746674-98
0.404
LON-WEI-4d77710c-7
0.404
LON-WEI-4d77710c-45
0.402
MAT-POS-b5746674-36
0.402
LON-WEI-5e7d1b3e-45
0.402
LON-WEI-4d77710c-23
0.402
LON-WEI-5e7d1b3e-23
0.402
LON-WEI-4d77710c-59
0.398
LON-WEI-5e7d1b3e-59
0.398
MAT-POS-b5746674-37
0.398
MAT-POS-3b92565d-8
0.394
MAT-POS-3b92565d-9
0.392
MAT-POS-b5746674-35
0.390
LON-WEI-5e7d1b3e-33
0.390
LON-WEI-4d77710c-33
0.390
LON-WEI-5e7d1b3e-50
0.379
MAT-POS-b5746674-34
0.379
LON-WEI-4d77710c-50
0.379
LON-WEI-5e7d1b3e-42
0.365
LON-WEI-4d77710c-42
0.365
NAU-LAT-3f5f3993-2
0.356
MAT-POS-b5746674-38
0.346
LON-WEI-4d77710c-57
0.346
LON-WEI-5e7d1b3e-57
0.346
LON-WEI-4d77710c-60
0.318
LON-WEI-5e7d1b3e-60
0.318
MAT-POS-2492181e-6
0.318
MAT-POS-2492181e-7
0.317
LON-WEI-4d77710c-34
0.314
LON-WEI-5e7d1b3e-34
0.314
MAT-POS-b5746674-107
0.314
LON-WEI-5e7d1b3e-54
0.314
MAT-POS-b5746674-101
0.314
LON-WEI-4d77710c-54
0.314
MAT-POS-2492181e-10
0.312
LON-WEI-4d77710c-13
0.311
LON-WEI-5e7d1b3e-13
0.311
MAT-POS-2492181e-11
0.308
LON-WEI-4d77710c-16
0.308
MAT-POS-b5746674-109
0.308
LON-WEI-5e7d1b3e-16
0.308
LON-WEI-4d77710c-29
0.306
LON-WEI-5e7d1b3e-29
0.306
MAT-POS-af71705c-2
0.302
LON-WEI-4d77710c-15
0.296
LON-WEI-5e7d1b3e-15
0.296
MAT-POS-b5746674-100
0.296
LON-WEI-5e7d1b3e-43
0.295
LON-WEI-4d77710c-43
0.295
LON-WEI-5e7d1b3e-4
0.294
LON-WEI-4d77710c-4
0.294
MAT-POS-2492181e-8
0.294
TRY-UNI-714a760b-7
0.289
MAT-POS-b5746674-104
0.288
MAT-POS-2492181e-9
0.288
LON-WEI-4d77710c-9
0.287
LON-WEI-5e7d1b3e-9
0.287
LON-WEI-5e7d1b3e-35
0.284
MAT-POS-b5746674-108
0.284
LON-WEI-4d77710c-35
0.284
MAT-POS-2492181e-12
0.284
BEN-DND-6de5dfa0-7
0.284