314876

Source:http://linkedlifedata.com/resource/chembl/compound/314876

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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/C13H14N4/c1-2-17-12-6-8-14-9-11(12)16-13(17)10-5-3-4-7-15-10/h3-10,15H,2H2,1H3
chemicalCompound:standardIn...	DCIULJIPUMQXIK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCn1c(nc2cnccc12)C3NC=CC=C3
chemicalCompound:molecularF...	C13 H14 N4
chemicalCompound:moleculeId	314876
chemicalCompound:mwFreebase	226.277
chemicalCompound:alogp	0.837
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	42.74
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.095
chemicalCompound:acdLogD	1.069
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	226.277
chemicalCompound:acdMostBpk...	6.165
chemicalCompound:chemblId	CHEMBL415769
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:414876
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:1475690