Molecular Properties | |
SMILES: | CCCCN(CCCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)c1ccccc1 |
MW: | 448.28 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 11 |
TPSA: | 66.37 |
cLogP: | 5.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4756520303 |
MolPort: | MolPort-007-773-184 |
Activity Data | |
IC50 (µM) - RapidFire: | 82.690761107176 |
Order Status | |
Shipped: | 2020-11-17 |
Aliphatic long chain
Filter82_pyridinium
Long aliphatic chain
LON-WEI-4d77710c-38
1.000
LON-WEI-5e7d1b3e-38
1.000
MAT-POS-2492181e-12
0.628
MAT-POS-b5746674-100
0.552
LON-WEI-4d77710c-15
0.552
LON-WEI-5e7d1b3e-15
0.552
LON-WEI-4d77710c-60
0.546
MAT-POS-2492181e-6
0.546
LON-WEI-5e7d1b3e-60
0.546
MAT-POS-2492181e-10
0.535
MAT-POS-2492181e-4
0.532
LON-WEI-4d77710c-17
0.532
LON-WEI-5e7d1b3e-17
0.532
MAT-POS-2492181e-11
0.526
LON-WEI-4d77710c-16
0.526
LON-WEI-5e7d1b3e-16
0.526
MAT-POS-b5746674-109
0.526
LON-WEI-4d77710c-40
0.526
LON-WEI-5e7d1b3e-40
0.526
MAT-POS-2492181e-7
0.521
LON-WEI-4d77710c-44
0.516
LON-WEI-5e7d1b3e-44
0.516
LON-WEI-4d77710c-51
0.510
LON-WEI-5e7d1b3e-51
0.510
LON-WEI-5e7d1b3e-20
0.510
LON-WEI-4d77710c-20
0.510
LON-WEI-5e7d1b3e-48
0.505
LON-WEI-4d77710c-48
0.505
LON-WEI-5e7d1b3e-13
0.485
LON-WEI-4d77710c-13
0.485
LON-WEI-4d77710c-28
0.475
LON-WEI-5e7d1b3e-28
0.475
LON-WEI-5e7d1b3e-54
0.470
MAT-POS-b5746674-107
0.470
LON-WEI-4d77710c-54
0.470
LON-WEI-5e7d1b3e-4
0.469
LON-WEI-4d77710c-4
0.469
LON-WEI-4d77710c-27
0.468
LON-WEI-5e7d1b3e-27
0.468
LON-WEI-5e7d1b3e-9
0.463
LON-WEI-4d77710c-9
0.463
LON-WEI-4d77710c-55
0.462
LON-WEI-5e7d1b3e-55
0.462
LON-WEI-4d77710c-56
0.459
LON-WEI-5e7d1b3e-56
0.459
LON-WEI-4d77710c-22
0.458
LON-WEI-5e7d1b3e-22
0.458
MAT-POS-af71705c-2
0.455
MAT-POS-b5746674-105
0.452
MAT-POS-b5746674-110
0.450
LON-WEI-5e7d1b3e-21
0.449
LON-WEI-4d77710c-21
0.449
MAT-POS-2492181e-8
0.442
LON-WEI-5e7d1b3e-43
0.436
LON-WEI-4d77710c-43
0.436
MAT-POS-b5746674-104
0.430
LON-WEI-5e7d1b3e-30
0.427
LON-WEI-4d77710c-30
0.427
LON-WEI-5e7d1b3e-34
0.427
MAT-POS-b5746674-101
0.427
LON-WEI-4d77710c-34
0.427
LON-WEI-4d77710c-42
0.425
LON-WEI-5e7d1b3e-42
0.425
MAT-POS-b5746674-108
0.423
LON-WEI-5e7d1b3e-35
0.423
LON-WEI-4d77710c-35
0.423
MAT-POS-2492181e-9
0.421
LON-WEI-5e7d1b3e-29
0.413
LON-WEI-4d77710c-29
0.413
MAT-POS-b5746674-106
0.413
MAT-POS-2492181e-3
0.411
MAT-POS-b5746674-103
0.400
LON-WEI-5e7d1b3e-50
0.398
LON-WEI-4d77710c-50
0.398
MAT-POS-b5746674-34
0.398
MAT-POS-b5746674-99
0.396
LON-WEI-4d77710c-58
0.393
LON-WEI-5e7d1b3e-58
0.393
LON-WEI-5e7d1b3e-53
0.384
LON-WEI-4d77710c-53
0.384
MAT-POS-2492181e-2
0.354
LON-WEI-4d77710c-52
0.340
LON-WEI-5e7d1b3e-52
0.340
MAT-POS-2492181e-1
0.340
LON-WEI-5e7d1b3e-31
0.337
LON-WEI-4d77710c-31
0.337
MAT-POS-2492181e-5
0.337
LON-WEI-4d77710c-7
0.333
LON-WEI-5e7d1b3e-7
0.333
MAT-POS-b5746674-98
0.333
MAT-POS-b5746674-35
0.325
LON-WEI-5e7d1b3e-47
0.308
LON-WEI-4d77710c-49
0.308
LON-WEI-5e7d1b3e-49
0.308
LON-WEI-4d77710c-47
0.308
MAT-POS-b5746674-42
0.308
LON-WEI-4d77710c-37
0.306
LON-WEI-5e7d1b3e-37
0.306
LON-WEI-4d77710c-1
0.300
LON-WEI-5e7d1b3e-1
0.300