 |
| Ligand Name: PCM-0102306 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1367 |
PubChem:
2560621
|
Synonym(s):
- 2-chloro-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one
- 852389-12-9
- zinc3440646
- akos008987475
- mcule-4366908389
- ne47430
- upcmld0enat5342281:001
- en300-12754
- z85921967
show 8 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: ClCC(=O)N1CCN(CC1)C(=O)c2cccs2 |
| Standard InChI: InChI=1S/C11H13ClN2O2S/c12-8-10(15)13-3-5-14(6-4-13)11(16)9-2-1-7-17-9/h1-2,7H,3-6,8H2 |
| Molecular Formula: C11H13ClN2O2S |
Mol. Weight: 272.03864 |
logP: 1.2713 |
| HBD: 0 | HBA: 3 |
| #Rotatable Bonds: 2 | TPSA: 40.62 |