159278

Source:http://linkedlifedata.com/resource/chembl/compound/159278

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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/C20H20N4O/c1-12(2)19-15-11-14(16-5-6-18(25)24-23-16)3-4-17(15)22-20(19)13-7-9-21-10-8-13/h3-4,7-12,22H,5-6H2,1-2H3,(H,24,25)
chemicalCompound:standardIn...	UYPXBZMTFOYPHU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)c1c([nH]c2ccc(cc12)C3=NNC(=O)CC3)c4ccncc4
chemicalCompound:molecularF...	C20 H20 N4 O
chemicalCompound:moleculeId	159278
chemicalCompound:mwFreebase	332.399
chemicalCompound:alogp	3.196
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	70.14
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.669
chemicalCompound:acdLogP	1.747
chemicalCompound:acdLogD	1.652
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	332.399
chemicalCompound:acdMostBpk...	5.822
chemicalCompound:chemblId	CHEMBL329969
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:259278
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:85891