51810

Source:http://linkedlifedata.com/resource/chembl/compound/51810

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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/C9H9N3O2/c1-14-9(13)11-7-6-12-5-3-2-4-8(12)10-7/h2-6H,1H3,(H,11,13)
chemicalCompound:standardIn...	OTQCHQLVDPVPJX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)Nc1cn2ccccc2n1
chemicalCompound:molecularF...	C9 H9 N3 O2
chemicalCompound:moleculeId	51810
chemicalCompound:mwFreebase	191.187
chemicalCompound:alogp	0.873
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	55.63
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.678
chemicalCompound:acdLogP	1.862
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	191.187
chemicalCompound:acdMostBpk...	7.55
chemicalCompound:chemblId	CHEMBL34718
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:151810
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:60360, activity:1304838, activity:1304839