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| Ligand Name: PCM-0102281 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1340 |
PubChem:
16226864
|
Synonym(s):
- 1-(chloroacetyl)-4-[(2-fluorophenyl)sulfonyl]piperazine
- 2-chloro-1-[4-(2-fluorobenzenesulfonyl)piperazin-1-yl]ethan-1-one
- 923204-90-4
- schembl22196896
- zinc9428939
- akos001283845
- mcule-2374438362
- ne40750
- upcmld0enat5621425:001
- en300-22584
- 2-chloro-1-(4-(2-fluorophenylsulfonyl)piperazin-1-yl)ethanone
- 2-chloro-1-{4-[(2-fluorobenzene)sulfonyl]piperazin-1-yl}ethan-1-one
show 11 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Fc1ccccc1S(=O)(=O)N2CCN(CC2)C(=O)CCl |
| Standard InChI: InChI=1S/C12H14ClFN2O3S/c13-9-12(17)15-5-7-16(8-6-15)20(18,19)11-4-2-1-3-10(11)14/h1-4H,5-9H2 |
| Molecular Formula: C12H14ClFN2O3S |
Mol. Weight: 320.03976 |
logP: 0.8974 |
| HBD: 0 | HBA: 3 |
| #Rotatable Bonds: 3 | TPSA: 57.69 |