32

Source:http://linkedlifedata.com/resource/chembl/compound/32

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C17H13N3O4/c1-24-14-8-4-12(5-9-14)16(22)11-2-6-13(7-3-11)20-17(23)19-15(21)10-18-20/h2-10H,1H3,(H,19,21,23)
chemicalCompound:standardIn...	PTPLFGAZASGDIE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C(=O)c2ccc(cc2)N3N=CC(=O)NC3=O
chemicalCompound:molecularF...	C17 H13 N3 O4
chemicalCompound:moleculeId	32
chemicalCompound:mwFreebase	323.303
chemicalCompound:alogp	2.177
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	88.07
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.129
chemicalCompound:acdLogP	2.497
chemicalCompound:acdLogD	1.278
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	323.303
chemicalCompound:chemblId	CHEMBL268528
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100032
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:191643