112828

Source:http://linkedlifedata.com/resource/chembl/compound/112828

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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/C13H14N/c1-11-5-3-4-6-13(11)12-7-9-14(2)10-8-12/h3-10H,1-2H3/q+1
chemicalCompound:standardIn...	SQQIVWWCOPFTKT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccccc1c2cc[n+](C)cc2
chemicalCompound:molecularF...	C13 H14 N
chemicalCompound:moleculeId	112828
chemicalCompound:mwFreebase	184.257
chemicalCompound:alogp	3.439
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	3.88
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.258
chemicalCompound:acdLogD	0.258
chemicalCompound:fullMwt	184.257
chemicalCompound:chemblId	CHEMBL70438
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:212828
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:999015, activity:999016, activity:999017