262299

Source:http://linkedlifedata.com/resource/chembl/compound/262299

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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/C11H13N3/c12-10-13-7-11(14-10)6-5-8-3-1-2-4-9(8)11/h1-4H,5-7H2,(H3,12,13,14)
chemicalCompound:standardIn...	WZCWIBLKPNHNQU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1=NC2(CCc3ccccc23)CN1
chemicalCompound:molecularF...	C11 H13 N3
chemicalCompound:moleculeId	262299
chemicalCompound:mwFreebase	187.241
chemicalCompound:alogp	1.242
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	50.41
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.493
chemicalCompound:acdLogD	-0.507
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	187.241
chemicalCompound:acdMostBpk...	13.202
chemicalCompound:chemblId	CHEMBL160990
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:362299
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:791415