285747

Source:http://linkedlifedata.com/resource/chembl/compound/285747

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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/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
chemicalCompound:standardIn...	AFBPFSWMIHJQDM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNc1ccccc1
chemicalCompound:molecularF...	C7H9N
chemicalCompound:moleculeId	285747
chemicalCompound:mwFreebase	107.153
chemicalCompound:alogp	1.638
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	12.03
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.712
chemicalCompound:acdLogD	1.711
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	107.153
chemicalCompound:acdMostBpk...	4.7
chemicalCompound:chemblId	CHEMBL170781
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:385747
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:15733
chemicalCompound:activity	activity:916287, activity:1504140, activity:2385292, activity:3926279, activity:4243985, activity:4751482, activity:6563711