Molecular Properties | |
SMILES: | CC(=O)c1cccc(NC(=O)Nc2cn(C)c(=O)c3ccccc23)c1 |
MW: | 335.13 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 80.2 |
cLogP: | 3.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9672012989 |
MolPort: | MolPort-007-753-351 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
Ketone
LON-WEI-4d77710c-6
1.000
LON-WEI-4d77710c-23
0.667
LON-WEI-5e7d1b3e-23
0.667
LON-WEI-4d77710c-5
0.608
LON-WEI-5e7d1b3e-5
0.608
LON-WEI-5e7d1b3e-12
0.571
LON-WEI-4d77710c-12
0.571
LON-WEI-4d77710c-37
0.537
LON-WEI-5e7d1b3e-37
0.537
MAT-POS-af71705c-1
0.527
LON-WEI-4d77710c-18
0.506
LON-WEI-5e7d1b3e-18
0.506
LON-WEI-4d77710c-36
0.500
LON-WEI-5e7d1b3e-36
0.500
LON-WEI-5e7d1b3e-52
0.481
LON-WEI-4d77710c-52
0.481
MAT-POS-2492181e-1
0.481
MAT-POS-4211dce8-1
0.474
MAT-POS-2492181e-2
0.468
MAT-POS-2492181e-3
0.468
LON-WEI-5e7d1b3e-49
0.457
LON-WEI-4d77710c-49
0.457
MAT-POS-3b92565d-7
0.446
LON-WEI-4d77710c-31
0.440
MAT-POS-2492181e-5
0.440
LON-WEI-5e7d1b3e-31
0.440
LON-WEI-5e7d1b3e-1
0.437
LON-WEI-4d77710c-1
0.437
LON-WEI-4d77710c-39
0.435
LON-WEI-5e7d1b3e-39
0.435
LON-WEI-5e7d1b3e-47
0.422
MAT-POS-b5746674-42
0.422
LON-WEI-4d77710c-47
0.422
LON-WEI-4d77710c-46
0.420
MAT-POS-b5746674-97
0.420
LON-WEI-5e7d1b3e-46
0.420
MAT-POS-3b92565d-8
0.419
MAT-POS-b5746674-98
0.398
LON-WEI-4d77710c-7
0.398
LON-WEI-5e7d1b3e-33
0.398
LON-WEI-5e7d1b3e-7
0.398
LON-WEI-4d77710c-33
0.398
LON-WEI-4d77710c-45
0.395
MAT-POS-b5746674-36
0.395
LON-WEI-5e7d1b3e-45
0.395
MAT-POS-b5746674-34
0.385
LON-WEI-4d77710c-50
0.385
LON-WEI-5e7d1b3e-50
0.385
MAT-POS-3b92565d-9
0.371
LON-WEI-5e7d1b3e-22
0.371
LON-WEI-4d77710c-22
0.371
MAT-POS-b5746674-35
0.370
LON-WEI-4d77710c-59
0.350
LON-WEI-5e7d1b3e-59
0.350
MAT-POS-b5746674-37
0.350
LON-WEI-5e7d1b3e-57
0.337
LON-WEI-4d77710c-57
0.337
MAT-POS-b5746674-38
0.337
MAT-POS-2492181e-8
0.333
LON-WEI-5e7d1b3e-9
0.330
LON-WEI-4d77710c-9
0.330
LON-WEI-120e5cf5-19
0.329
MAT-POS-2492181e-9
0.327
LON-WEI-5e7d1b3e-4
0.323
LON-WEI-4d77710c-4
0.323
MAK-UNK-90d0606b-8
0.322
LON-WEI-4d77710c-21
0.319
LON-WEI-5e7d1b3e-21
0.319
LON-WEI-4d77710c-43
0.309
LON-WEI-5e7d1b3e-43
0.309
TRY-UNI-714a760b-9
0.306
MAT-POS-af71705c-2
0.303
LON-WEI-5e7d1b3e-30
0.303
LON-WEI-4d77710c-30
0.303
LON-WEI-5e7d1b3e-56
0.302
LON-WEI-4d77710c-56
0.302
LON-WEI-4d77710c-58
0.302
LON-WEI-5e7d1b3e-58
0.302
TRY-UNI-714a760b-12
0.301
JAG-UCB-cedd89ab-8
0.301
LON-WEI-4d77710c-55
0.301
LON-WEI-5e7d1b3e-55
0.301
LON-WEI-5e7d1b3e-17
0.299
MAT-POS-2492181e-4
0.299
LON-WEI-4d77710c-17
0.299
LON-WEI-5e7d1b3e-15
0.297
MAT-POS-b5746674-100
0.297
LON-WEI-4d77710c-15
0.297
LON-WEI-4d77710c-27
0.290
LON-WEI-5e7d1b3e-27
0.290
DAR-DIA-0cde14eb-50
0.287
LON-WEI-5e7d1b3e-13
0.286
LON-WEI-4d77710c-13
0.286
MAT-POS-2492181e-12
0.284
DAR-DIA-0cde14eb-51
0.284
DAR-DIA-0cde14eb-53
0.284
LON-WEI-5e7d1b3e-29
0.283
LON-WEI-4d77710c-29
0.283
MAT-POS-2492181e-11
0.283
MAT-POS-b5746674-109
0.283