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GtoPdb Ligand ID: 6218

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 48.03
Molecular weight 302.11
XLogP 5.48
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Cn1c(cc2c(c1=O)c(no2)c1ccccc1)c1ccccc1
Isomeric SMILES Cn1c(cc2c(c1=O)c(no2)c1ccccc1)c1ccccc1
InChI InChI=1S/C19H14N2O2/c1-21-15(13-8-4-2-5-9-13)12-16-17(19(21)22)18(20-23-16)14-10-6-3-7-11-14/h2-12H,1H3
InChI Key LCNDUGHNYMJGIW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-methyl-3,6-di(phenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one
Database Links Click here for help
CAS Registry No. 60986-80-3 (source: Scifinder)
ChEMBL Ligand CHEMBL595840
GtoPdb PubChem SID 178102839
PubChem CID 4250909
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