immethridine   Click here for help

GtoPdb Ligand ID: 4024

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 1
Rotatable bonds 2
Topological polar surface area 41.57
Molecular weight 159.08
XLogP 0.79
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES n1ccc(cc1)Cc1c[nH]cn1
Isomeric SMILES n1ccc(cc1)Cc1c[nH]cn1
InChI InChI=1S/C9H9N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h1-4,6-7H,5H2,(H,11,12)
InChI Key DFVSGZHJSIEEQQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-(3H-imidazol-4-ylmethyl)pyridine
Database Links Click here for help
CAS Registry No. 87976-03-2 (source: Scifinder)
ChEMBL Ligand CHEMBL82298
GtoPdb PubChem SID 178100850
PubChem CID 9989505
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Wikipedia Immethridine