 |
| Ligand Name: PCM-0102628 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1408 |
PubChem:
4299411
|
Synonym(s):
- zinc4218977
- akos000118150
- ccg-315970
- mcule-2516335004
- en300-17538
- sr-01000047897
- sr-01000047897-1
- 2-chloro-1-[4-(2,4-dimethylbenzenesulfonyl)piperazin-1-yl]ethan-1-one
- 2-chloro-1-{4-[(2,4-dimethylbenzene)sulfonyl]piperazin-1-yl}ethan-1-one
- 731012-06-9
show 9 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Cc1ccc(c(C)c1)S(=O)(=O)N2CCN(CC2)C(=O)CCl |
| Standard InChI: InChI=1S/C14H19ClN2O3S/c1-11-3-4-13(12(2)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 |