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| Ligand Name: PCM-0102353 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1353 |
PubChem:
8899774
|
Synonym(s):
- 2-chloro-1-[4-(2,5-dimethylbenzenesulfonyl)piperazin-1-yl]ethan-1-one
- 875164-40-2
- zinc7784532
- akos001200384
- mcule-7926314722
- ne50459
- upcmld0enat5499772:001
- en300-22818
show 7 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Cc1ccc(C)c(c1)S(=O)(=O)N2CCN(CC2)C(=O)CCl |
| Standard InChI: InChI=1S/C14H19ClN2O3S/c1-11-3-4-12(2)13(9-11)21(19,20)17-7-5-16(6-8-17)14(18)10-15/h3-4,9H,5-8,10H2,1-2H3 |
| Molecular Formula: C14H19ClN2O3S |
Mol. Weight: 330.0805 |
logP: 1.37514 |
| HBD: 0 | HBA: 3 |
| #Rotatable Bonds: 3 | TPSA: 57.69 |