vilazodone   Click here for help

GtoPdb Ligand ID: 7427

Synonyms: EMD-515259 | EMD-68-843 | SB-659746-A | Viibryd®
Approved drug PDB Ligand
vilazodone is an approved drug (FDA (2011))
Compound class: Synthetic organic
Comment: Note that the USAN (United States Adopted Name) refers to the hydrochloride salt which has PubChem CID 6918313.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 102.29
Molecular weight 441.22
XLogP 3.35
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#Cc1ccc2c(c1)c(CCCCN1CCN(CC1)c1ccc3c(c1)cc(o3)C(=O)N)c[nH]2
Isomeric SMILES N#Cc1ccc2c(c1)c(CCCCN1CCN(CC1)c1ccc3c(c1)cc(o3)C(=O)N)c[nH]2
InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
InChI Key SGEGOXDYSFKCPT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2011))
IUPAC Name Click here for help
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
International Nonproprietary Names Click here for help
INN number INN
7638 vilazodone
Synonyms Click here for help
EMD-515259 | EMD-68-843 | SB-659746-A | Viibryd®
Database Links Click here for help
CAS Registry No. 163521-12-8
ChEMBL Ligand CHEMBL439849
DrugBank Ligand DB06684
DrugCentral Ligand 4223
GtoPdb PubChem SID 178103999
PubChem CID 6918314
RCSB PDB Ligand YG7
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Wikipedia Vilazodone