alniditan

Ligand id: 120

Name: alniditan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 57.68
Molecular weight 302.21
XLogP 2.79
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[[(2R)-chroman-2-yl]methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
International Nonproprietary Names
INN number INN
7258 alniditan
Synonyms
R-91274
Database Links
CAS Registry No. 152317-89-0 (source: Scifinder)
ChEMBL Ligand CHEMBL88240
PubChem CID 66004
Search Google for chemical match using the InChIKey QVSXOXCYXPQXMF-OAHLLOKOSA-N
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Search PubMed clinical trials alniditan
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Search UniChem for chemical match using the InChIKey QVSXOXCYXPQXMF-OAHLLOKOSA-N
Search UniChem for chemicals with the same backbone QVSXOXCYXPQXMF
Wikipedia Alniditan