compound 16a [PMID: 14697765]   Click here for help

GtoPdb Ligand ID: 6427

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 0
Rotatable bonds 3
Topological polar surface area 39.42
Molecular weight 301.12
XLogP 5.03
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(ccc1c1ccccn1)c1nc2n(c1)cccc2
Isomeric SMILES COc1cc(ccc1c1ccccn1)c1nc2n(c1)cccc2
InChI InChI=1S/C19H15N3O/c1-23-18-12-14(8-9-15(18)16-6-2-4-10-20-16)17-13-22-11-5-3-7-19(22)21-17/h2-13H,1H3
InChI Key DNCGFJANVDVZIZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,2-a]pyridine
Database Links Click here for help
GtoPdb PubChem SID 178103043
PubChem CID 10380127
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