Molecular Properties | |
SMILES: | COc1ccc(NC(=O)Nc2cn(C)c(=O)c3ccccc23)cc1OC |
MW: | 353.14 |
Fraction sp3: | 0.16 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 81.59 |
cLogP: | 3.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7847149793 |
MolPort: | MolPort-007-753-211 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-4d77710c-5
1.000
LON-WEI-4d77710c-6
0.608
LON-WEI-5e7d1b3e-6
0.608
LON-WEI-5e7d1b3e-18
0.584
LON-WEI-4d77710c-18
0.584
LON-WEI-5e7d1b3e-23
0.577
LON-WEI-5e7d1b3e-36
0.577
LON-WEI-4d77710c-23
0.577
LON-WEI-4d77710c-36
0.577
LON-WEI-5e7d1b3e-12
0.550
LON-WEI-4d77710c-12
0.550
MAT-POS-af71705c-1
0.526
LON-WEI-5e7d1b3e-1
0.524
LON-WEI-4d77710c-1
0.524
MAT-POS-3b92565d-7
0.519
LON-WEI-5e7d1b3e-37
0.518
LON-WEI-4d77710c-37
0.518
MAT-POS-3b92565d-8
0.471
LON-WEI-4d77710c-33
0.462
LON-WEI-5e7d1b3e-33
0.462
LON-WEI-5e7d1b3e-49
0.458
LON-WEI-4d77710c-49
0.458
MAT-POS-2492181e-3
0.451
MAT-POS-2492181e-2
0.451
LON-WEI-5e7d1b3e-52
0.447
MAT-POS-2492181e-1
0.447
LON-WEI-4d77710c-52
0.447
LON-WEI-5e7d1b3e-31
0.442
LON-WEI-4d77710c-31
0.442
MAT-POS-2492181e-5
0.442
MAT-POS-4211dce8-1
0.439
MAT-POS-b5746674-97
0.422
LON-WEI-5e7d1b3e-46
0.422
LON-WEI-4d77710c-46
0.422
LON-WEI-5e7d1b3e-39
0.420
LON-WEI-4d77710c-39
0.420
LON-WEI-5e7d1b3e-47
0.407
MAT-POS-b5746674-42
0.407
LON-WEI-4d77710c-47
0.407
MAT-POS-3b92565d-9
0.388
LON-WEI-5e7d1b3e-7
0.385
MAT-POS-b5746674-98
0.385
LON-WEI-4d77710c-7
0.385
LON-WEI-5e7d1b3e-45
0.382
LON-WEI-4d77710c-45
0.382
MAT-POS-b5746674-36
0.382
LON-WEI-5e7d1b3e-50
0.374
MAT-POS-b5746674-34
0.374
LON-WEI-4d77710c-50
0.374
LON-WEI-4d77710c-43
0.368
LON-WEI-5e7d1b3e-43
0.368
MAT-POS-b5746674-35
0.359
LON-WEI-5e7d1b3e-22
0.344
LON-WEI-4d77710c-22
0.344
LON-WEI-5e7d1b3e-28
0.340
LON-WEI-4d77710c-28
0.340
LON-WEI-5e7d1b3e-59
0.340
MAT-POS-b5746674-37
0.340
LON-WEI-4d77710c-59
0.340
LON-WEI-4d77710c-57
0.340
MAT-POS-b5746674-38
0.340
LON-WEI-5e7d1b3e-57
0.340
LON-WEI-4d77710c-9
0.333
LON-WEI-5e7d1b3e-9
0.333
LON-WEI-4d77710c-48
0.330
LON-WEI-5e7d1b3e-48
0.330
MAT-POS-2492181e-8
0.324
LON-WEI-4d77710c-56
0.320
LON-WEI-5e7d1b3e-56
0.320
LON-WEI-5e7d1b3e-58
0.318
LON-WEI-4d77710c-58
0.318
MAT-POS-2492181e-9
0.317
LON-WEI-4d77710c-4
0.312
LON-WEI-5e7d1b3e-4
0.312
LON-WEI-4d77710c-29
0.299
LON-WEI-5e7d1b3e-29
0.299
MAT-POS-b5746674-106
0.299
LON-WEI-5e7d1b3e-21
0.296
LON-WEI-4d77710c-21
0.296
MAT-POS-af71705c-2
0.294
LON-WEI-5e7d1b3e-30
0.294
LON-WEI-4d77710c-30
0.294
MAT-POS-b5746674-100
0.288
LON-WEI-5e7d1b3e-15
0.288
LON-WEI-4d77710c-15
0.288
MAR-TRE-04c86cea-39
0.284
MAT-POS-e1b5ac6b-2
0.283
MAT-POS-3b92565d-4
0.283
LON-WEI-5e7d1b3e-27
0.281
LON-WEI-4d77710c-27
0.281
LON-WEI-4d77710c-55
0.280
LON-WEI-5e7d1b3e-55
0.280
MAK-UNK-7a704a63-22
0.279
MAT-POS-2492181e-4
0.277
LON-WEI-4d77710c-17
0.277
LON-WEI-5e7d1b3e-17
0.277
MAT-POS-2492181e-12
0.276
LON-WEI-4d77710c-16
0.275
MAT-POS-2492181e-11
0.275
MAT-POS-b5746674-109
0.275