132723

Source:http://linkedlifedata.com/resource/chembl/compound/132723

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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/C14H12N4O/c1-2-19-11-5-3-10(4-6-11)14-16-13-9-15-8-7-12(13)17-18-14/h3-9H,2H2,1H3
chemicalCompound:standardIn...	VQLHQAWJTBFBDQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1ccc(cc1)c2nnc3ccncc3n2
chemicalCompound:molecularF...	C14 H12 N4 O
chemicalCompound:moleculeId	132723
chemicalCompound:mwFreebase	252.271
chemicalCompound:alogp	2.151
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	60.79
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.78
chemicalCompound:acdLogD	2.78
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	252.271
chemicalCompound:acdMostBpk...	2.543
chemicalCompound:chemblId	CHEMBL82821
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:232723
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:1047647, activity:1047648, activity:1047649, activity:1047650, activity:1047651, activity:1047652, activity:1047653