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| Ligand Name: PCM-0102121 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1365 |
PubChem:
9449842
|
Synonym(s):
- 1-(chloroacetyl)-4-[(5-chlorothien-2-yl)sulfonyl]piperazine
- zinc8324088
- akos001287197
- mcule-8136806651
- ne29583
- en300-22857
- j-503530
- 2-chloro-1-(4-((5-chlorothiophen-2-yl)sulfonyl)piperazin-1-yl)ethanone
- 2-chloro-1-(4-(5-chlorothiophen-2-ylsulfonyl)piperazin-1-yl)ethanone
- 2-chloro-1-[4-(5-chlorothiophene-2-sulfonyl)piperazin-1-yl]ethan-1-one
- 2-chloro-1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
show 10 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: ClCC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(Cl)s2 |
| Standard InChI: InChI=1S/C10H12Cl2N2O3S2/c11-7-9(15)13-3-5-14(6-4-13)19(16,17)10-2-1-8(12)18-10/h1-2H,3-7H2 |
| Molecular Formula: C10H12Cl2N2O3S2 |
Mol. Weight: 341.96664 |
logP: 1.4732 |
| HBD: 0 | HBA: 4 |
| #Rotatable Bonds: 3 | TPSA: 57.69 |