150416

Source:http://linkedlifedata.com/resource/chembl/compound/150416

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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/C13H15N5/c1-13(2,3)18-12(16-9-15)17-11-6-4-10(8-14)5-7-11/h4-7H,1-3H3,(H2,16,17,18)
chemicalCompound:standardIn...	VUTFALFOMNJMQI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)\N=C(/NC#N)\Nc1ccc(cc1)C#N
chemicalCompound:molecularF...	C13 H15 N5
chemicalCompound:moleculeId	150416
chemicalCompound:mwFreebase	241.292
chemicalCompound:alogp	1.949
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	84
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.647
chemicalCompound:acdLogD	2.647
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	241.292
chemicalCompound:chemblId	CHEMBL328082
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:250416
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:478147, activity:478148, activity:478149, activity:478150, activity:521245