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| Ligand Name: PCM-0102759 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1405 |
PubChem:
2051960
|
Synonym(s):
- 2-chloro-1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]ethan-1-one
- 246514-23-8
- schembl20323444
- 2-chloro-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
- zinc2457747
- akos000117186
- mcule-1213384460
- en300-08171
- sr-01000056284
- sr-01000056284-1
- z55928785
- 2-chloro-1-{4-[(4-methylbenzene)sulfonyl]piperazin-1-yl}ethan-1-one
show 11 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)CCl |
| Standard InChI: InChI=1S/C13H17ClN2O3S/c1-11-2-4-12(5-3-11)20(18,19)16-8-6-15(7-9-16)13(17)10-14/h2-5H,6-10H2,1H3 |
| Molecular Formula: C13H17ClN2O3S |
Mol. Weight: 316.06485 |
logP: 1.06672 |
| HBD: 0 | HBA: 3 |
| #Rotatable Bonds: 3 | TPSA: 57.69 |