Molecular Properties | |
SMILES: | Cc1noc(C)c1CCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 |
MW: | 382.2 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 89.16 |
cLogP: | 3.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-121-804 |
Activity Data | |
IC50 (µM) - Fluorescence: | 27.6581201096714 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-4d77710c-51
1.000
LON-WEI-4d77710c-17
0.609
LON-WEI-5e7d1b3e-17
0.609
MAT-POS-2492181e-4
0.609
LON-WEI-5e7d1b3e-40
0.600
LON-WEI-4d77710c-40
0.600
MAT-POS-b5746674-109
0.584
LON-WEI-4d77710c-16
0.584
LON-WEI-5e7d1b3e-16
0.584
MAT-POS-2492181e-11
0.584
MAT-POS-2492181e-12
0.581
LON-WEI-4d77710c-9
0.570
LON-WEI-5e7d1b3e-9
0.570
LON-WEI-5e7d1b3e-20
0.564
LON-WEI-4d77710c-20
0.564
LON-WEI-5e7d1b3e-48
0.558
LON-WEI-4d77710c-48
0.558
LON-WEI-5e7d1b3e-44
0.557
LON-WEI-4d77710c-44
0.557
MAT-POS-2492181e-7
0.543
LON-WEI-4d77710c-13
0.538
LON-WEI-5e7d1b3e-13
0.538
LON-WEI-5e7d1b3e-15
0.526
MAT-POS-b5746674-100
0.526
LON-WEI-4d77710c-15
0.526
MAT-POS-2492181e-10
0.526
LON-WEI-4d77710c-60
0.521
MAT-POS-2492181e-6
0.521
LON-WEI-5e7d1b3e-60
0.521
LON-WEI-5e7d1b3e-22
0.511
LON-WEI-4d77710c-22
0.511
LON-WEI-4d77710c-38
0.510
MAT-POS-b5746674-102
0.510
LON-WEI-5e7d1b3e-38
0.510
LON-WEI-4d77710c-21
0.500
LON-WEI-5e7d1b3e-21
0.500
LON-WEI-4d77710c-55
0.495
LON-WEI-5e7d1b3e-55
0.495
LON-WEI-4d77710c-28
0.495
LON-WEI-5e7d1b3e-28
0.495
LON-WEI-4d77710c-4
0.489
LON-WEI-5e7d1b3e-4
0.489
LON-WEI-5e7d1b3e-27
0.489
LON-WEI-4d77710c-27
0.489
LON-WEI-4d77710c-43
0.484
LON-WEI-5e7d1b3e-43
0.484
LON-WEI-4d77710c-56
0.479
LON-WEI-5e7d1b3e-56
0.479
LON-WEI-4d77710c-30
0.474
LON-WEI-5e7d1b3e-30
0.474
MAT-POS-b5746674-104
0.463
MAT-POS-af71705c-2
0.459
LON-WEI-4d77710c-35
0.453
LON-WEI-5e7d1b3e-35
0.453
MAT-POS-b5746674-108
0.453
LON-WEI-4d77710c-29
0.442
LON-WEI-5e7d1b3e-29
0.442
MAT-POS-2492181e-8
0.431
LON-WEI-5e7d1b3e-54
0.430
MAT-POS-b5746674-107
0.430
LON-WEI-4d77710c-54
0.430
LON-WEI-5e7d1b3e-42
0.427
MAT-POS-b5746674-105
0.427
LON-WEI-4d77710c-42
0.427
MAT-POS-2492181e-9
0.423
LON-WEI-4d77710c-58
0.421
LON-WEI-5e7d1b3e-58
0.421
MAT-POS-b5746674-99
0.412
MAT-POS-b5746674-110
0.410
LON-WEI-5e7d1b3e-34
0.402
LON-WEI-4d77710c-34
0.402
MAT-POS-b5746674-103
0.402
MAT-POS-b5746674-101
0.402
MAT-POS-b5746674-106
0.402
LON-WEI-4d77710c-53
0.398
LON-WEI-5e7d1b3e-53
0.398
MAT-POS-2492181e-1
0.396
LON-WEI-5e7d1b3e-52
0.396
LON-WEI-4d77710c-52
0.396
MAT-POS-2492181e-5
0.392
LON-WEI-4d77710c-31
0.392
LON-WEI-5e7d1b3e-31
0.392
MAT-POS-2492181e-2
0.368
MAT-POS-2492181e-3
0.368
LON-WEI-4d77710c-49
0.347
LON-WEI-5e7d1b3e-49
0.347
MAT-POS-b5746674-35
0.325
MAT-POS-b5746674-34
0.324
LON-WEI-4d77710c-50
0.324
LON-WEI-5e7d1b3e-50
0.324
LON-WEI-4d77710c-7
0.321
LON-WEI-5e7d1b3e-7
0.321
MAT-POS-b5746674-98
0.321
LON-WEI-4d77710c-39
0.320
LON-WEI-5e7d1b3e-39
0.320
LON-WEI-4d77710c-1
0.311
LON-WEI-5e7d1b3e-1
0.311
MAT-POS-af71705c-1
0.296
MAT-POS-b5746674-42
0.294
LON-WEI-5e7d1b3e-47
0.294