1170064

Source:http://linkedlifedata.com/resource/chembl/compound/1170064

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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/C17H13N3O/c18-14-3-1-11(2-4-14)13-7-15-16(12-5-6-21-10-12)9-20-17(15)19-8-13/h1-10H,18H2,(H,19,20)
chemicalCompound:standardIn...	LZFOUSCUHHOHBV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ccc(cc1)c2cnc3[nH]cc(c4cocc4)c3c2
chemicalCompound:molecularF...	C17H13N3O
chemicalCompound:moleculeId	1170064
chemicalCompound:mwFreebase	275.305
chemicalCompound:alogp	2.565
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	67.84
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.352
chemicalCompound:acdLogP	2.805
chemicalCompound:acdLogD	2.805
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	275.305
chemicalCompound:acdMostBpk...	4.56
chemicalCompound:chemblId	CHEMBL1817872
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1270064
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:6326129