compound 3a [PMID: 16099654]   Click here for help

GtoPdb Ligand ID: 6205

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 1
Rotatable bonds 3
Topological polar surface area 77.25
Molecular weight 307.1
XLogP 2.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(C1c2ccccc2Oc2c1cccc2)Nc1noc(n1)C
Isomeric SMILES O=C(C1c2ccccc2Oc2c1cccc2)Nc1noc(n1)C
InChI InChI=1S/C17H13N3O3/c1-10-18-17(20-23-10)19-16(21)15-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)15/h2-9,15H,1H3,(H,19,20,21)
InChI Key KXBNLKGEYKHKAO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(5-methyl-1,2,4-oxadiazol-3-yl)-9H-xanthene-9-carboxamide
Database Links Click here for help
ChEMBL Ligand CHEMBL492378
GtoPdb PubChem SID 178102826
PubChem CID 44573698
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