90941

Source:http://linkedlifedata.com/resource/chembl/compound/90941

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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/C10H13N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7H,4,6,8H2,1H3
chemicalCompound:standardIn...	YVBSECQAHGIWNF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCCc2ccccc12
chemicalCompound:molecularF...	C10 H13 N
chemicalCompound:moleculeId	90941
chemicalCompound:mwFreebase	147.217
chemicalCompound:alogp	2.523
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	3.24
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.362
chemicalCompound:acdLogD	2.342
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	147.217
chemicalCompound:acdMostBpk...	6.071
chemicalCompound:chemblId	CHEMBL57038
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:190941
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:190941
chemicalCompound:activity	activity:349168, activity:1002531, activity:1002532, activity:1155633