compound 26 [PMID: 16439120]   Click here for help

GtoPdb Ligand ID: 6372

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 58.8
Molecular weight 259.05
XLogP 2.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#Cc1cc(OCc2ccnc(c2)C)nc(c1)Cl
Isomeric SMILES N#Cc1cc(OCc2ccnc(c2)C)nc(c1)Cl
InChI InChI=1S/C13H10ClN3O/c1-9-4-10(2-3-16-9)8-18-13-6-11(7-15)5-12(14)17-13/h2-6H,8H2,1H3
InChI Key MWMMUKIHNXXNGW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-chloro-6-[(2-methylpyridin-4-yl)methoxy]pyridine-4-carbonitrile
Database Links Click here for help
ChEMBL Ligand CHEMBL205146
GtoPdb PubChem SID 178102990
PubChem CID 44410045
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