87839

Source:http://linkedlifedata.com/resource/chembl/compound/87839

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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/C16H12N4O2/c21-15(22)11-3-1-5-13(9-11)19-16-18-8-6-14(20-16)12-4-2-7-17-10-12/h1-10H,(H,21,22)(H,18,19,20)
chemicalCompound:standardIn...	VXHBPYDHFUNZCG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1cccc(Nc2nccc(n2)c3cccnc3)c1
chemicalCompound:molecularF...	C16 H12 N4 O2
chemicalCompound:moleculeId	87839
chemicalCompound:mwFreebase	292.292
chemicalCompound:alogp	1.911
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	88
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.175
chemicalCompound:acdLogP	2.508
chemicalCompound:acdLogD	-0.343
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	292.292
chemicalCompound:acdMostBpk...	2.687
chemicalCompound:chemblId	CHEMBL57556
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:187839
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:913916, activity:913917, activity:913918, activity:913919, activity:913920, activity:913921, activity:913922