Molecular Properties | |
SMILES: | Cn1cc(NC(=O)N(Cc2ccco2)CC2CCCO2)c2ccccc2c1=O |
MW: | 381.17 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 76.71 |
cLogP: | 3.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3490455564 |
MolPort: | MolPort-007-753-371 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
MAT-POS-b5746674-37
1.000
LON-WEI-4d77710c-59
1.000
LON-WEI-5e7d1b3e-57
0.604
MAT-POS-b5746674-38
0.604
LON-WEI-4d77710c-57
0.604
MAT-POS-b5746674-35
0.500
LON-WEI-5e7d1b3e-39
0.469
LON-WEI-4d77710c-39
0.469
LON-WEI-4d77710c-50
0.462
LON-WEI-5e7d1b3e-50
0.462
MAT-POS-b5746674-34
0.462
LON-WEI-5e7d1b3e-45
0.418
LON-WEI-4d77710c-45
0.418
MAT-POS-b5746674-36
0.418
LON-WEI-4d77710c-46
0.398
MAT-POS-b5746674-97
0.398
LON-WEI-5e7d1b3e-46
0.398
LON-WEI-5e7d1b3e-47
0.398
LON-WEI-4d77710c-47
0.398
MAT-POS-b5746674-42
0.398
MAT-POS-2492181e-2
0.378
LON-WEI-4d77710c-36
0.376
MAT-POS-3b92565d-7
0.376
LON-WEI-5e7d1b3e-36
0.376
LON-WEI-5e7d1b3e-13
0.368
LON-WEI-4d77710c-13
0.368
MAT-POS-4211dce8-1
0.367
LON-WEI-4d77710c-18
0.366
LON-WEI-5e7d1b3e-18
0.366
MAT-POS-2492181e-3
0.364
LON-WEI-5e7d1b3e-12
0.359
LON-WEI-4d77710c-12
0.359
MAT-POS-3b92565d-8
0.356
LON-WEI-5e7d1b3e-37
0.352
LON-WEI-4d77710c-37
0.352
LON-WEI-5e7d1b3e-6
0.350
LON-WEI-4d77710c-6
0.350
MAT-POS-af71705c-1
0.347
LON-WEI-5e7d1b3e-1
0.346
LON-WEI-4d77710c-1
0.346
MAT-POS-3b92565d-9
0.345
LON-WEI-4d77710c-49
0.343
LON-WEI-5e7d1b3e-49
0.343
LON-WEI-4d77710c-7
0.342
LON-WEI-5e7d1b3e-7
0.342
MAT-POS-b5746674-98
0.342
LON-WEI-4d77710c-33
0.342
LON-WEI-5e7d1b3e-33
0.342
LON-WEI-4d77710c-5
0.340
LON-WEI-5e7d1b3e-5
0.340
LON-WEI-4d77710c-52
0.337
LON-WEI-5e7d1b3e-52
0.337
MAT-POS-2492181e-1
0.337
LON-WEI-5e7d1b3e-23
0.337
LON-WEI-4d77710c-23
0.337
MAT-POS-2492181e-5
0.333
LON-WEI-5e7d1b3e-31
0.333
LON-WEI-4d77710c-31
0.333
LON-WEI-4d77710c-44
0.327
LON-WEI-5e7d1b3e-44
0.327
LON-WEI-5e7d1b3e-27
0.299
LON-WEI-4d77710c-27
0.299
JUA-UNI-b93289a4-1
0.296
MIC-UNK-bcd487e9-4
0.288
JUA-UNI-a9dfaed1-1
0.282
MAT-POS-b5746674-105
0.277
LON-WEI-4d77710c-42
0.277
LON-WEI-5e7d1b3e-42
0.277
MAT-POS-b5746674-101
0.276
LON-WEI-4d77710c-34
0.276
UNK-UNK-2ede4078-72
0.276
LON-WEI-5e7d1b3e-34
0.276
MAT-POS-b5746674-107
0.276
LON-WEI-5e7d1b3e-54
0.276
LON-WEI-4d77710c-54
0.276
PAU-UNI-6d15a9f5-1
0.274
MAT-POS-2492181e-10
0.264
TAT-ENA-80bfd3e5-28
0.264
MAT-POS-b5746674-104
0.263
LON-WEI-5e7d1b3e-56
0.263
LON-WEI-4d77710c-56
0.263
MIC-UNK-cdc2493e-2
0.262
MAT-POS-b5746674-106
0.260
MAR-TRE-4b834d9a-29
0.260
MAT-POS-2492181e-11
0.259
LON-WEI-5e7d1b3e-16
0.259
LON-WEI-4d77710c-16
0.259
LON-WEI-5e7d1b3e-43
0.259
LON-WEI-4d77710c-43
0.259
MAT-POS-b5746674-109
0.259
MAT-POS-2492181e-6
0.258
LON-WEI-4d77710c-60
0.258
LON-WEI-5e7d1b3e-60
0.258
MAT-POS-2492181e-7
0.256
MAT-POS-b5746674-103
0.254
MIC-UNK-bcd487e9-5
0.254
MAR-TRE-7f7bb9f0-17
0.252
LON-WEI-5e7d1b3e-15
0.250
LON-WEI-4d77710c-15
0.250
MAT-POS-b5746674-100
0.250