Molecular Properties | |
SMILES: | CC(C)Cn1cc(NC(=O)NCCCN2CCC(C)CC2)c2ccccc2c1=O |
MW: | 398.27 |
Fraction sp3: | 0.57 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 66.37 |
cLogP: | 3.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6894585130 |
MolPort: | MolPort-007-773-009 |
Activity Data | |
IC50 (µM) - RapidFire: | 98.2441997611257 |
Order Status | |
Shipped: | 2020-11-17 |
Aliphatic long chain
Filter82_pyridinium
Long aliphatic chain
LON-WEI-5e7d1b3e-60
1.000
LON-WEI-4d77710c-60
1.000
MAT-POS-2492181e-7
0.823
MAT-POS-2492181e-10
0.685
MAT-POS-b5746674-100
0.652
LON-WEI-4d77710c-15
0.652
LON-WEI-5e7d1b3e-15
0.652
MAT-POS-2492181e-11
0.625
LON-WEI-4d77710c-16
0.625
LON-WEI-5e7d1b3e-16
0.625
MAT-POS-b5746674-109
0.625
MAT-POS-2492181e-9
0.596
MAT-POS-2492181e-12
0.568
LON-WEI-5e7d1b3e-13
0.560
LON-WEI-4d77710c-13
0.560
MAT-POS-2492181e-8
0.558
MAT-POS-b5746674-102
0.546
LON-WEI-4d77710c-38
0.546
LON-WEI-5e7d1b3e-38
0.546
LON-WEI-4d77710c-27
0.545
LON-WEI-5e7d1b3e-27
0.545
MAT-POS-2492181e-4
0.543
LON-WEI-4d77710c-17
0.543
LON-WEI-5e7d1b3e-17
0.543
LON-WEI-4d77710c-40
0.537
LON-WEI-5e7d1b3e-40
0.537
MAT-POS-b5746674-108
0.529
LON-WEI-5e7d1b3e-35
0.529
LON-WEI-4d77710c-35
0.529
LON-WEI-5e7d1b3e-44
0.527
LON-WEI-4d77710c-44
0.527
LON-WEI-4d77710c-51
0.521
LON-WEI-5e7d1b3e-51
0.521
LON-WEI-5e7d1b3e-48
0.515
LON-WEI-4d77710c-48
0.515
LON-WEI-5e7d1b3e-20
0.505
MAT-POS-b5746674-105
0.505
LON-WEI-4d77710c-20
0.505
LON-WEI-5e7d1b3e-55
0.485
LON-WEI-4d77710c-55
0.485
LON-WEI-4d77710c-28
0.485
LON-WEI-5e7d1b3e-28
0.485
LON-WEI-4d77710c-54
0.480
LON-WEI-5e7d1b3e-54
0.480
MAT-POS-b5746674-107
0.480
LON-WEI-4d77710c-42
0.475
LON-WEI-5e7d1b3e-42
0.475
LON-WEI-4d77710c-9
0.473
LON-WEI-5e7d1b3e-9
0.473
LON-WEI-5e7d1b3e-22
0.468
LON-WEI-4d77710c-22
0.468
MAT-POS-af71705c-2
0.465
LON-WEI-4d77710c-4
0.463
LON-WEI-5e7d1b3e-4
0.463
LON-WEI-4d77710c-43
0.459
LON-WEI-5e7d1b3e-43
0.459
LON-WEI-4d77710c-21
0.458
LON-WEI-5e7d1b3e-21
0.458
LON-WEI-5e7d1b3e-56
0.454
LON-WEI-4d77710c-56
0.454
MAT-POS-b5746674-104
0.454
MAT-POS-b5746674-101
0.450
LON-WEI-4d77710c-34
0.450
LON-WEI-5e7d1b3e-34
0.450
MAT-POS-b5746674-98
0.446
LON-WEI-5e7d1b3e-7
0.446
LON-WEI-4d77710c-7
0.446
MAT-POS-b5746674-110
0.444
LON-WEI-4d77710c-30
0.436
LON-WEI-5e7d1b3e-30
0.436
MAT-POS-2492181e-2
0.435
MAT-POS-b5746674-99
0.431
LON-WEI-4d77710c-53
0.430
LON-WEI-5e7d1b3e-53
0.430
MAT-POS-b5746674-103
0.422
LON-WEI-5e7d1b3e-29
0.407
MAT-POS-b5746674-106
0.407
LON-WEI-4d77710c-29
0.407
LON-WEI-4d77710c-58
0.400
LON-WEI-5e7d1b3e-58
0.400
MAT-POS-2492181e-3
0.375
LON-WEI-5e7d1b3e-31
0.370
MAT-POS-2492181e-5
0.370
LON-WEI-4d77710c-31
0.370
MAT-POS-2492181e-1
0.360
LON-WEI-4d77710c-52
0.360
LON-WEI-5e7d1b3e-52
0.360
MAT-POS-b5746674-35
0.354
LON-WEI-5e7d1b3e-49
0.340
LON-WEI-4d77710c-49
0.340
MAT-POS-b5746674-34
0.330
LON-WEI-4d77710c-50
0.330
LON-WEI-5e7d1b3e-50
0.330
MAT-POS-b5746674-97
0.318
LON-WEI-4d77710c-46
0.318
LON-WEI-5e7d1b3e-1
0.318
LON-WEI-4d77710c-1
0.318
LON-WEI-5e7d1b3e-46
0.318
MAT-POS-af71705c-1
0.303
LON-WEI-4d77710c-39
0.302