Molecular Properties | |
SMILES: | Cn1cc(NC(=O)NCCCN2CCc3ccccc3C2)c2ccccc2c1=O |
MW: | 390.21 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 66.37 |
cLogP: | 3.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8287400511 |
MolPort: | MolPort-007-753-322 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Aliphatic long chain
Filter82_pyridinium
Long aliphatic chain
MAT-POS-b5746674-98
1.000
LON-WEI-4d77710c-7
1.000
MAT-POS-2492181e-2
0.585
MAT-POS-2492181e-3
0.512
MAT-POS-2492181e-1
0.489
LON-WEI-5e7d1b3e-52
0.489
LON-WEI-4d77710c-52
0.489
MAT-POS-2492181e-5
0.484
LON-WEI-4d77710c-31
0.484
LON-WEI-5e7d1b3e-31
0.484
LON-WEI-4d77710c-49
0.483
LON-WEI-5e7d1b3e-49
0.483
MAT-POS-2492181e-6
0.446
LON-WEI-4d77710c-60
0.446
LON-WEI-5e7d1b3e-60
0.446
LON-WEI-5e7d1b3e-50
0.441
LON-WEI-4d77710c-50
0.441
MAT-POS-b5746674-34
0.441
MAT-POS-b5746674-100
0.436
LON-WEI-4d77710c-15
0.436
LON-WEI-5e7d1b3e-15
0.436
LON-WEI-4d77710c-1
0.433
LON-WEI-5e7d1b3e-1
0.433
LON-WEI-5e7d1b3e-37
0.427
LON-WEI-4d77710c-37
0.427
MAT-POS-af71705c-1
0.427
MAT-POS-b5746674-35
0.425
MAT-POS-4211dce8-1
0.418
MAT-POS-b5746674-97
0.404
LON-WEI-5e7d1b3e-46
0.404
LON-WEI-4d77710c-46
0.404
LON-WEI-4d77710c-6
0.398
LON-WEI-5e7d1b3e-6
0.398
MAT-POS-2492181e-10
0.396
LON-WEI-4d77710c-23
0.396
LON-WEI-5e7d1b3e-23
0.396
LON-WEI-5e7d1b3e-12
0.392
LON-WEI-4d77710c-12
0.392
LON-WEI-5e7d1b3e-39
0.388
LON-WEI-4d77710c-39
0.388
LON-WEI-5e7d1b3e-5
0.385
LON-WEI-4d77710c-5
0.385
LON-WEI-4d77710c-18
0.385
LON-WEI-5e7d1b3e-18
0.385
LON-WEI-5e7d1b3e-33
0.385
LON-WEI-4d77710c-33
0.385
MAT-POS-b5746674-109
0.382
LON-WEI-4d77710c-16
0.382
LON-WEI-5e7d1b3e-16
0.382
MAT-POS-2492181e-11
0.382
LON-WEI-4d77710c-36
0.381
LON-WEI-5e7d1b3e-36
0.381
MAT-POS-2492181e-7
0.379
MAT-POS-b5746674-42
0.375
LON-WEI-5e7d1b3e-47
0.375
LON-WEI-4d77710c-47
0.375
LON-WEI-4d77710c-45
0.367
LON-WEI-5e7d1b3e-45
0.367
MAT-POS-b5746674-36
0.367
MAT-POS-3b92565d-8
0.360
MAT-POS-b5746674-47
0.357
MAT-POS-3b92565d-7
0.354
MAT-POS-3b92565d-9
0.349
LON-WEI-5e7d1b3e-59
0.342
LON-WEI-4d77710c-59
0.342
MAT-POS-b5746674-37
0.342
LON-WEI-4d77710c-40
0.333
LON-WEI-5e7d1b3e-38
0.333
MAT-POS-b5746674-102
0.333
LON-WEI-4d77710c-38
0.333
LON-WEI-5e7d1b3e-40
0.333
MAT-POS-2492181e-12
0.333
LON-WEI-4d77710c-57
0.330
LON-WEI-5e7d1b3e-57
0.330
MAT-POS-b5746674-38
0.330
AAR-UNI-c25c2f1e-92
0.327
LON-WEI-4d77710c-51
0.321
LON-WEI-5e7d1b3e-51
0.321
LON-WEI-4d77710c-17
0.321
MAT-POS-2492181e-4
0.321
LON-WEI-5e7d1b3e-17
0.321
LON-WEI-5e7d1b3e-20
0.312
LON-WEI-4d77710c-20
0.312
LON-WEI-4d77710c-42
0.301
LON-WEI-5e7d1b3e-42
0.301
LON-WEI-5e7d1b3e-48
0.298
LON-WEI-4d77710c-48
0.298
LON-WEI-5e7d1b3e-13
0.296
LON-WEI-4d77710c-13
0.296
SAD-SAT-689b7d5a-2
0.296
MAR-TRE-fd17a9b8-20
0.294
LON-WEI-4d77710c-44
0.292
LON-WEI-5e7d1b3e-44
0.292
LON-WEI-5e7d1b3e-55
0.287
LON-WEI-4d77710c-55
0.287
MAT-POS-b5746674-108
0.283
LON-WEI-4d77710c-35
0.283
LON-WEI-5e7d1b3e-35
0.283
LON-WEI-5e7d1b3e-28
0.283
LON-WEI-4d77710c-28
0.283