169263

Source:http://linkedlifedata.com/resource/chembl/compound/169263

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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/C12H17N3/c1-9-6-13-7-12(14-9)11-8-15-4-2-10(11)3-5-15/h6-7,10-11H,2-5,8H2,1H3
chemicalCompound:standardIn...	JLOBVGDQVUCSJA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cncc(n1)C2CN3CCC2CC3
chemicalCompound:molecularF...	C12 H17 N3
chemicalCompound:moleculeId	169263
chemicalCompound:mwFreebase	203.283
chemicalCompound:alogp	0.695
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	29.02
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.035
chemicalCompound:acdLogD	-0.815
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	203.283
chemicalCompound:acdMostBpk...	9.746
chemicalCompound:chemblId	CHEMBL102995
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:269263
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:295476, activity:295477, activity:295478