Molecular Properties | |
SMILES: | Cn1cc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc2c1=O |
MW: | 380.15 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 87.79 |
cLogP: | 2.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5830357313 |
MolPort: | MolPort-007-753-299 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-5e7d1b3e-45
1.000
LON-WEI-4d77710c-45
1.000
LON-WEI-5e7d1b3e-39
0.448
LON-WEI-4d77710c-39
0.448
MAT-POS-b5746674-110
0.440
MAT-POS-4211dce8-1
0.434
MAT-POS-2492181e-2
0.429
MAT-POS-af71705c-1
0.427
LON-WEI-4d77710c-59
0.418
LON-WEI-5e7d1b3e-59
0.418
MAT-POS-b5746674-37
0.418
LON-WEI-4d77710c-33
0.411
LON-WEI-5e7d1b3e-33
0.411
LON-WEI-4d77710c-47
0.402
LON-WEI-5e7d1b3e-47
0.402
MAT-POS-b5746674-42
0.402
MAT-POS-b5746674-97
0.402
LON-WEI-4d77710c-46
0.402
LON-WEI-5e7d1b3e-46
0.402
MAT-POS-b5746674-103
0.400
LON-WEI-4d77710c-50
0.398
LON-WEI-5e7d1b3e-50
0.398
MAT-POS-b5746674-34
0.398
MAR-TRE-6a44bbf2-61
0.397
AAR-POS-d2a4d1df-29
0.397
MAT-POS-b5746674-35
0.396
LON-WEI-5e7d1b3e-6
0.395
LON-WEI-4d77710c-6
0.395
MAT-POS-2492181e-3
0.395
MAT-POS-2492181e-1
0.393
LON-WEI-5e7d1b3e-52
0.393
LON-WEI-5e7d1b3e-36
0.393
LON-WEI-4d77710c-36
0.393
LON-WEI-4d77710c-52
0.393
MAT-POS-b5746674-38
0.390
LON-WEI-5e7d1b3e-57
0.390
LON-WEI-4d77710c-57
0.390
LON-WEI-5e7d1b3e-31
0.389
LON-WEI-5e7d1b3e-12
0.389
LON-WEI-4d77710c-31
0.389
LON-WEI-4d77710c-12
0.389
MAT-POS-2492181e-5
0.389
MAT-POS-b5746674-104
0.387
LON-WEI-4d77710c-49
0.386
LON-WEI-5e7d1b3e-49
0.386
LON-WEI-5e7d1b3e-54
0.385
LON-WEI-4d77710c-54
0.385
MAT-POS-b5746674-107
0.385
MAT-POS-3b92565d-8
0.385
LON-WEI-4d77710c-5
0.382
LON-WEI-4d77710c-18
0.382
LON-WEI-5e7d1b3e-5
0.382
LON-WEI-5e7d1b3e-18
0.382
MAT-POS-b5746674-99
0.381
MAT-POS-3b92565d-7
0.378
LON-WEI-5e7d1b3e-23
0.378
LON-WEI-4d77710c-23
0.378
LON-WEI-5e7d1b3e-1
0.372
LON-WEI-4d77710c-1
0.372
MAT-POS-3b92565d-9
0.370
LON-WEI-5e7d1b3e-7
0.367
LON-WEI-4d77710c-7
0.367
MAT-POS-b5746674-98
0.367
LON-WEI-5e7d1b3e-37
0.366
LON-WEI-4d77710c-37
0.366
LON-WEI-5e7d1b3e-34
0.343
MAT-POS-b5746674-101
0.343
LON-WEI-4d77710c-34
0.343
LON-WEI-9739a092-6
0.339
LON-WEI-5e7d1b3e-53
0.330
LON-WEI-4d77710c-53
0.330
TAT-ENA-80bfd3e5-41
0.324
LON-WEI-4d77710c-44
0.323
LON-WEI-5e7d1b3e-44
0.323
MAT-POS-2492181e-11
0.310
LON-WEI-5e7d1b3e-16
0.310
LON-WEI-4d77710c-16
0.310
MAT-POS-b5746674-109
0.310
GIA-UNK-995df016-11
0.310
MAR-TRE-4b834d9a-51
0.306
MAR-LAB-ff9967db-11
0.299
MAT-POS-b5746674-105
0.292
LON-WEI-4d77710c-9
0.289
LON-WEI-5e7d1b3e-9
0.289
LON-WEI-5e7d1b3e-13
0.287
LON-WEI-4d77710c-13
0.287
SID-ELM-1f105489-9
0.286
LON-WEI-4d77710c-15
0.286
MAT-POS-b5746674-100
0.286
LON-WEI-5e7d1b3e-15
0.286
MAR-TRE-2fd8122f-86
0.284
MAT-POS-2492181e-6
0.283
LON-WEI-4d77710c-60
0.283
LON-WEI-5e7d1b3e-60
0.283
AAR-POS-0daf6b7e-44
0.282
MAT-POS-2492181e-7
0.282
MAK-UNK-987948f6-9
0.281
MAK-UNK-987948f6-8
0.280
LON-WEI-5e7d1b3e-27
0.278
LON-WEI-4d77710c-27
0.278