63699

Source:http://linkedlifedata.com/resource/chembl/compound/63699

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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/C16H13N3O3/c1-2-19-9-12(16(21)22)14(20)11-3-4-13(18-15(11)19)10-5-7-17-8-6-10/h3-9H,2H2,1H3,(H,21,22)
chemicalCompound:standardIn...	VUHFWOLAZQAXBB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN1C=C(C(=O)O)C(=O)c2ccc(nc12)c3ccncc3
chemicalCompound:molecularF...	C16 H13 N3 O3
chemicalCompound:moleculeId	63699
chemicalCompound:mwFreebase	295.293
chemicalCompound:alogp	1.69
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	83.39
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.006
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-1.625
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	295.293
chemicalCompound:acdMostBpk...	3.646
chemicalCompound:chemblId	CHEMBL43548
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:163699
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:713017, activity:713018, activity:713019