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| Ligand Name: PCM-0102911 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1347 |
PubChem:
50988137
|
Synonym(s):
- zinc57218749
- 2-chloro-1-(4-(2-methylbenzyl)-1,4-diazepan-1-yl)ethan-1-one
- 1258826-72-0
show 2 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Cc1ccccc1CN1CCCN(CC1)C(=O)CCl |
| Standard InChI: InChI=1S/C15H21ClN2O/c1-13-5-2-3-6-14(13)12-17-7-4-8-18(10-9-17)15(19)11-16/h2-3,5-6H,4,7-12H2,1H3 |
| Molecular Formula: C15H21ClN2O |
Mol. Weight: 280.13425 |
logP: 2.26812 |
| HBD: 0 | HBA: 2 |
| #Rotatable Bonds: 3 | TPSA: 23.55 |