[3H]alniditan

Ligand id: 117

Name: [3H]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
Synonyms
R-91274
Database Links
ChEMBL Ligand CHEMBL88240
GtoPdb PubChem SID 135651134
PubChem CID 66004
Search Google for chemical match using the InChIKey QVSXOXCYXPQXMF-OAHLLOKOSA-N
Search Google for chemicals with the same backbone QVSXOXCYXPQXMF
Search UniChem for chemical match using the InChIKey QVSXOXCYXPQXMF-OAHLLOKOSA-N
Search UniChem for chemicals with the same backbone QVSXOXCYXPQXMF