22324

Source:http://linkedlifedata.com/resource/chembl/compound/22324

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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/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
chemicalCompound:standardIn...	RQEUFEKYXDPUSK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(N)c1ccccc1
chemicalCompound:molecularF...	C8 H11 N
chemicalCompound:moleculeId	22324
chemicalCompound:mwFreebase	121.18
chemicalCompound:alogp	1.313
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	26.02
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.718
chemicalCompound:acdLogD	0.083
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	121.18
chemicalCompound:acdMostBpk...	9.04
chemicalCompound:chemblId	CHEMBL278059
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:122324
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:670
chemicalCompound:activity	activity:434048, activity:503524, activity:689584, activity:689585, activity:689586, activity:777618, activity:1275718