339467

Source:http://linkedlifedata.com/resource/chembl/compound/339467

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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/C9H11N3/c1-2-7-12-9-6-4-3-5-8(9)10-11-12/h3-6H,2,7H2,1H3
chemicalCompound:standardIn...	KMHKYOIGRHFJBP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCn1nnc2ccccc12
chemicalCompound:molecularF...	C9 H11 N3
chemicalCompound:moleculeId	339467
chemicalCompound:mwFreebase	161.204
chemicalCompound:alogp	2.513
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	30.71
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.096
chemicalCompound:acdLogD	2.096
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	161.204
chemicalCompound:acdMostBpk...	1.434
chemicalCompound:chemblId	CHEMBL204234
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:439467
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:1684901, activity:1684907, activity:1684913, activity:1684920, activity:1684926, activity:1684979, activity:1684985, activity:1684991, activity:1684997, activity:1685003