Molecular Properties | |
SMILES: | CCc1ccccc1N(CC)C(=O)Nc1cn(C)c(=O)c2ccccc12 |
MW: | 349.18 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 54.34 |
cLogP: | 4.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4853804148 |
MolPort: | MolPort-007-753-364 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
MAT-POS-b5746674-42
1.000
LON-WEI-5e7d1b3e-47
1.000
MAT-POS-2492181e-3
0.475
LON-WEI-4d77710c-12
0.464
LON-WEI-5e7d1b3e-12
0.464
MAT-POS-4211dce8-1
0.463
LON-WEI-4d77710c-37
0.453
LON-WEI-5e7d1b3e-37
0.453
MAT-POS-b5746674-97
0.443
LON-WEI-5e7d1b3e-46
0.443
LON-WEI-4d77710c-46
0.443
MAT-POS-2492181e-2
0.439
MAT-POS-af71705c-1
0.438
LON-WEI-4d77710c-23
0.435
LON-WEI-5e7d1b3e-23
0.435
LON-WEI-5e7d1b3e-49
0.429
LON-WEI-4d77710c-49
0.429
LON-WEI-4d77710c-1
0.427
LON-WEI-5e7d1b3e-1
0.427
MAT-POS-3b92565d-8
0.425
LON-WEI-5e7d1b3e-39
0.425
LON-WEI-4d77710c-39
0.425
LON-WEI-4d77710c-6
0.422
LON-WEI-5e7d1b3e-6
0.422
LON-WEI-4d77710c-52
0.419
LON-WEI-5e7d1b3e-52
0.419
MAT-POS-2492181e-1
0.419
MAT-POS-3b92565d-7
0.419
LON-WEI-4d77710c-36
0.419
LON-WEI-5e7d1b3e-36
0.419
LON-WEI-4d77710c-31
0.414
LON-WEI-5e7d1b3e-31
0.414
MAT-POS-2492181e-5
0.414
MAT-POS-b5746674-38
0.412
LON-WEI-4d77710c-57
0.412
LON-WEI-5e7d1b3e-57
0.412
LON-WEI-4d77710c-18
0.407
LON-WEI-5e7d1b3e-18
0.407
LON-WEI-5e7d1b3e-5
0.407
LON-WEI-4d77710c-5
0.407
MAT-POS-b5746674-36
0.402
LON-WEI-5e7d1b3e-45
0.402
LON-WEI-4d77710c-45
0.402
LON-WEI-5e7d1b3e-59
0.398
MAT-POS-b5746674-37
0.398
LON-WEI-4d77710c-59
0.398
LON-WEI-5e7d1b3e-50
0.392
LON-WEI-4d77710c-50
0.392
MAT-POS-b5746674-34
0.392
MAT-POS-3b92565d-9
0.378
LON-WEI-5e7d1b3e-7
0.375
LON-WEI-4d77710c-7
0.375
MAT-POS-b5746674-98
0.375
MAT-POS-b5746674-35
0.363
LON-WEI-4d77710c-33
0.361
LON-WEI-5e7d1b3e-33
0.361
MAT-POS-2492181e-12
0.333
LON-WEI-4d77710c-27
0.326
LON-WEI-5e7d1b3e-27
0.326
LON-WEI-5e7d1b3e-53
0.324
LON-WEI-4d77710c-53
0.324
MAT-POS-b5746674-103
0.323
LON-WEI-4d77710c-29
0.314
LON-WEI-5e7d1b3e-29
0.314
MAT-POS-b5746674-106
0.314
MAT-POS-b5746674-107
0.310
LON-WEI-4d77710c-30
0.310
LON-WEI-5e7d1b3e-54
0.310
LON-WEI-5e7d1b3e-30
0.310
LON-WEI-4d77710c-54
0.310
LON-WEI-5e7d1b3e-56
0.309
LON-WEI-4d77710c-56
0.309
LON-WEI-5e7d1b3e-9
0.309
LON-WEI-4d77710c-9
0.309
MAT-POS-b5746674-102
0.308
LON-WEI-4d77710c-38
0.308
LON-WEI-5e7d1b3e-38
0.308
LON-WEI-4d77710c-22
0.305
LON-WEI-5e7d1b3e-22
0.305
LON-WEI-5e7d1b3e-28
0.304
LON-WEI-4d77710c-15
0.304
LON-WEI-4d77710c-28
0.304
MAT-POS-b5746674-100
0.304
LON-WEI-5e7d1b3e-15
0.304
LON-WEI-5e7d1b3e-43
0.303
LON-WEI-4d77710c-43
0.303
LON-WEI-4d77710c-16
0.303
LON-WEI-5e7d1b3e-16
0.303
MAT-POS-b5746674-109
0.303
MAT-POS-2492181e-11
0.303
LON-WEI-4d77710c-44
0.302
LON-WEI-5e7d1b3e-44
0.302
LON-WEI-5e7d1b3e-4
0.302
LON-WEI-4d77710c-4
0.302
LON-WEI-4d77710c-60
0.301
MAT-POS-2492181e-6
0.301
LON-WEI-5e7d1b3e-60
0.301
MAT-POS-2492181e-7
0.300
LON-WEI-4d77710c-21
0.299
LON-WEI-5e7d1b3e-21
0.299