volinanserin   Click here for help

GtoPdb Ligand ID: 185

Synonyms: MDL-100,907 | MDL-100907 | MDL100907
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 41.93
Molecular weight 373.21
XLogP 3.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cccc(c1OC)C(C1CCN(CC1)CCc1ccc(cc1)F)O
Isomeric SMILES COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O
InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1
InChI Key HXTGXYRHXAGCFP-OAQYLSRUSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(R)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
International Nonproprietary Names Click here for help
INN number INN
8767 volinanserin
Synonyms Click here for help
MDL-100,907 | MDL-100907 | MDL100907
Database Links Click here for help
BindingDB Ligand 50095027
CAS Registry No. 139290-65-6 (source: Scifinder)
ChEMBL Ligand CHEMBL74355
GtoPdb PubChem SID 135650573
PubChem CID 5311271
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Wikipedia Volinanserin

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Tocris
MDL 100907
Cat. No. 4173