Molecular Properties | |
SMILES: | CC(CCc1ccco1)NC(=O)Nc1cn(C)c(=O)c2ccccc12 |
MW: | 339.16 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 76.27 |
cLogP: | 3.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8010237422 |
MolPort: | MolPort-007-753-383 |
Activity Data | |
IC50 (µM) - Fluorescence: | 44.4815602697578 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-5e7d1b3e-39
1.000
LON-WEI-5e7d1b3e-50
0.511
LON-WEI-4d77710c-50
0.511
MAT-POS-b5746674-34
0.511
MAT-POS-b5746674-38
0.500
LON-WEI-4d77710c-57
0.500
LON-WEI-5e7d1b3e-57
0.500
MAT-POS-b5746674-35
0.490
MAT-POS-2492181e-3
0.470
LON-WEI-5e7d1b3e-59
0.469
MAT-POS-b5746674-37
0.469
LON-WEI-4d77710c-59
0.469
MAT-POS-2492181e-2
0.452
MAT-POS-af71705c-1
0.451
MAT-POS-b5746674-36
0.448
LON-WEI-4d77710c-45
0.448
MAT-POS-2492181e-1
0.448
LON-WEI-5e7d1b3e-52
0.448
LON-WEI-5e7d1b3e-45
0.448
LON-WEI-4d77710c-52
0.448
LON-WEI-4d77710c-31
0.443
MAT-POS-2492181e-5
0.443
LON-WEI-5e7d1b3e-31
0.443
LON-WEI-5e7d1b3e-49
0.442
LON-WEI-4d77710c-49
0.442
LON-WEI-4d77710c-18
0.437
LON-WEI-5e7d1b3e-18
0.437
LON-WEI-4d77710c-6
0.435
LON-WEI-5e7d1b3e-6
0.435
LON-WEI-5e7d1b3e-44
0.433
LON-WEI-4d77710c-44
0.433
LON-WEI-4d77710c-12
0.427
LON-WEI-5e7d1b3e-12
0.427
MAT-POS-b5746674-42
0.425
LON-WEI-5e7d1b3e-47
0.425
LON-WEI-4d77710c-47
0.425
LON-WEI-4d77710c-1
0.424
LON-WEI-5e7d1b3e-1
0.424
LON-WEI-5e7d1b3e-5
0.420
LON-WEI-4d77710c-5
0.420
LON-WEI-5e7d1b3e-37
0.418
LON-WEI-4d77710c-37
0.418
LON-WEI-4d77710c-36
0.416
LON-WEI-5e7d1b3e-23
0.416
LON-WEI-4d77710c-23
0.416
LON-WEI-5e7d1b3e-36
0.416
MAT-POS-b5746674-97
0.409
LON-WEI-5e7d1b3e-46
0.409
LON-WEI-4d77710c-46
0.409
MAT-POS-4211dce8-1
0.407
MAT-POS-3b92565d-7
0.400
LON-WEI-4d77710c-7
0.388
LON-WEI-5e7d1b3e-7
0.388
MAT-POS-b5746674-98
0.388
MAT-POS-3b92565d-8
0.376
MAT-POS-3b92565d-9
0.337
LON-WEI-4d77710c-33
0.333
LON-WEI-5e7d1b3e-33
0.333
LON-WEI-5e7d1b3e-9
0.323
LON-WEI-4d77710c-9
0.323
LON-WEI-4d77710c-51
0.320
LON-WEI-5e7d1b3e-51
0.320
MAT-POS-2492181e-12
0.320
LON-WEI-4d77710c-16
0.317
MAT-POS-b5746674-109
0.317
LON-WEI-5e7d1b3e-16
0.317
MAT-POS-2492181e-11
0.317
LON-WEI-5e7d1b3e-27
0.312
LON-WEI-4d77710c-27
0.312
LON-WEI-5e7d1b3e-55
0.308
LON-WEI-4d77710c-55
0.308
LON-WEI-5e7d1b3e-17
0.307
LON-WEI-4d77710c-17
0.307
MAT-POS-2492181e-4
0.307
LON-WEI-4d77710c-13
0.307
LON-WEI-5e7d1b3e-13
0.307
LON-WEI-4d77710c-22
0.306
LON-WEI-5e7d1b3e-22
0.306
MAT-POS-b5746674-100
0.305
LON-WEI-4d77710c-15
0.305
LON-WEI-5e7d1b3e-15
0.305
LON-WEI-5e7d1b3e-4
0.303
LON-WEI-4d77710c-4
0.303
LON-WEI-4d77710c-29
0.303
LON-WEI-5e7d1b3e-29
0.303
LON-WEI-5e7d1b3e-60
0.302
MAT-POS-2492181e-6
0.302
LON-WEI-4d77710c-60
0.302
MAT-POS-2492181e-7
0.301
LON-WEI-5e7d1b3e-21
0.300
LON-WEI-4d77710c-21
0.300
MAT-POS-af71705c-2
0.298
LON-WEI-5e7d1b3e-30
0.298
LON-WEI-4d77710c-30
0.298
LON-WEI-5e7d1b3e-56
0.297
MAT-POS-b5746674-104
0.297
LON-WEI-4d77710c-56
0.297
LON-WEI-5e7d1b3e-38
0.296
MAT-POS-b5746674-102
0.296
LON-WEI-4d77710c-38
0.296