418683

Source:http://linkedlifedata.com/resource/chembl/compound/418683

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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/C14H14N4O/c1-9-7-11-12(13(19)17-14(15)16-11)18(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H3,15,16,17,19)
chemicalCompound:standardIn...	PTOPHNKCVGRPMB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc2N=C(N)NC(=O)c2n1Cc3ccccc3
chemicalCompound:molecularF...	C14 H14 N4 O
chemicalCompound:moleculeId	418683
chemicalCompound:mwFreebase	254.287
chemicalCompound:alogp	1.939
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	72.41
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.08
chemicalCompound:acdLogP	0.689
chemicalCompound:acdLogD	0.683
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	254.287
chemicalCompound:acdMostBpk...	5.575
chemicalCompound:chemblId	CHEMBL400304
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:518683
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:2064606, activity:2064621, activity:2064624, activity:2064639, activity:2064654, activity:2064670, activity:2064684, activity:2064720, activity:2064723