 |
| Ligand Name: PCM-0102395 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1343 |
PubChem:
9115298
|
Synonym(s):
- 2-{[4-(2-chloroacetyl)piperazin-1-yl]sulfonyl}benzonitrile
- 877964-74-4
- zinc7986309
- akos001210947
- mcule-1200901596
- ne13750
- upcmld0enat5522524:001
- en300-22719
- 2-[4-(2-chloroacetyl)piperazine-1-sulfonyl]benzonitrile
show 8 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: ClCC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2C#N |
| Standard InChI: InChI=1S/C13H14ClN3O3S/c14-9-13(18)16-5-7-17(8-6-16)21(19,20)12-4-2-1-3-11(12)10-15/h1-4H,5-9H2 |
| Molecular Formula: C13H14ClN3O3S |
Mol. Weight: 327.04443 |
logP: 0.62998 |
| HBD: 0 | HBA: 4 |
| #Rotatable Bonds: 3 | TPSA: 81.48 |