 |
| Ligand Name: PCM-0102340 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1334 |
PubChem:
2454965
|
Synonym(s):
- 796067-49-7
- smr000253950
- mls000336096
- 2-chloro-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanone
- 2-chloro-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
- 2-chloro-1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one
- sr-01000061392
- chembl1581233
- bdbm54258
- cid_2454965
- chebi:112991
- hms2516m17
- hms3377b09
- zinc20268087
- akos022189417
- mcule-1138099113
- ne55671
- en300-11568
- 2-chloro-1-[4-(3-methylbenzyl)piperazino]ethanone
- sr-01000061392-1
- sr-01000061392-3
- q27193455
- z57052860
- 2-chloranyl-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
show 23 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL1581233 |
| Canonical SMILES: Cc1cccc(CN2CCN(CC2)C(=O)CCl)c1 |
| Standard InChI: InChI=1S/C14H19ClN2O/c1-12-3-2-4-13(9-12)11-16-5-7-17(8-6-16)14(18)10-15/h2-4,9H,5-8,10-11H2,1H3 |
| Molecular Formula: C14H19ClN2O |
Mol. Weight: 266.1186 |
logP: 1.87802 |
| HBD: 0 | HBA: 2 |
| #Rotatable Bonds: 3 | TPSA: 23.55 |