vofopitant

Ligand id: 5752

Name: vofopitant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 76.89
Molecular weight 432.19
XLogP 5.56
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S,3S)-N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
International Nonproprietary Names
INN number INN
7942 vofopitant
Synonyms
GR-205171 | GR-205171A | GR205171
Database Links
CAS Registry No. 168266-90-8 (source: SciFinder)
ChEMBL Ligand CHEMBL522302
PubChem CID 6918331
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Search UniChem for chemical match using the InChIKey XILNRORTJVDYRH-HKUYNNGSSA-N
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Wikipedia Vofopitant