430561

Source:http://linkedlifedata.com/resource/chembl/compound/430561

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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/C17H15N5O3/c18-16(24)15-14(20-17(19)25)9-22(21-15)12-5-1-10(2-6-12)11-3-7-13(23)8-4-11/h1-9,23H,(H2,18,24)(H3,19,20,25)
chemicalCompound:standardIn...	YPZHOJIORKXBPH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)Nc1cn(nc1C(=O)N)c2ccc(cc2)c3ccc(O)cc3
chemicalCompound:molecularF...	C17 H15 N5 O3
chemicalCompound:moleculeId	430561
chemicalCompound:mwFreebase	337.333
chemicalCompound:alogp	1.674
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	136.26
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.512
chemicalCompound:acdLogP	2.946
chemicalCompound:acdLogD	2.942
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	337.333
chemicalCompound:chemblId	CHEMBL402478
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:530561
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:2125437, activity:2125478