490927

Source:http://linkedlifedata.com/resource/chembl/compound/490927

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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/C12H14ClN3/c1-16-7-3-6-12(9-16)15-14-11-5-2-4-10(13)8-11/h2,4-5,8-9H,3,6-7H2,1H3/b15-14+
chemicalCompound:standardIn...	KUOPJRLAUHHIHI-CCEZHUSRSA-N
chemicalCompound:canonicalS...	CN1CCCC(=C1)N=Nc2cccc(Cl)c2
chemicalCompound:molecularF...	C12H14ClN3
chemicalCompound:moleculeId	490927
chemicalCompound:mwFreebase	235.713
chemicalCompound:alogp	3.454
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	27.96
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.908
chemicalCompound:acdLogD	2.042
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	235.713
chemicalCompound:acdMostBpk...	9.835
chemicalCompound:chemblId	CHEMBL476973
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:590927
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:2465726, activity:2465808, activity:2483154, activity:2483237, activity:2484342, activity:2484425, activity:2484508, activity:2484591, activity:2485693, activity:2485775, activity:2485858, activity:2485997, activity:3405834