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Name | CHEMBL100149 |
---|---|
Molecular formula | C24H29FN2O3 |
IUPAC name | 1-(1,3-benzodioxol-5-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclohexan-1-ol |
Molecular weight | 412.505 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | 1-Benzo[1,3]dioxol-5-yl-4-[4-(4-fluoro-benzyl)-piperazin-1-yl]-cyclohexanol 1-(1,3-Benzodioxole-5-yl)-4beta-[4-(4-fluorobenzyl)piperazino]cyclohexane-1alpha-ol BDBM50122421 |
Inchi Key | AACJHFPFYOSUIH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H29FN2O3/c25-20-4-1-18(2-5-20)16-26-11-13-27(14-12-26)21-7-9-24(28,10-8-21)19-3-6-22-23(15-19)30-17-29-22/h1-6,15,21,28H,7-14,16-17H2 |
PubChem CID | 44329554 |
ChEMBL | CHEMBL100149 |
IUPHAR | N/A |
BindingDB | 50122421 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
53 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
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