methylhistaprodifen   Click here for help

GtoPdb Ligand ID: 1205

Synonyms: N-methylhistaprodifen
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 2
Rotatable bonds 8
Topological polar surface area 40.71
Molecular weight 319.2
XLogP 3.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1
Isomeric SMILES CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1
InChI InChI=1S/C21H25N3/c1-22-15-14-19-16-23-21(24-19)13-12-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,20,22H,12-15H2,1H3,(H,23,24)
InChI Key YMVWDVNGNLXSKR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[2-[3,3-di(phenyl)propyl]-3H-imidazol-4-yl]-N-methylethanamine
Synonyms Click here for help
N-methylhistaprodifen
Database Links Click here for help
CAS Registry No. 222545-63-3 (source: Scifinder)
ChEMBL Ligand CHEMBL275035
GtoPdb PubChem SID 135650593
PubChem CID 10403687
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