131607

Source:http://linkedlifedata.com/resource/chembl/compound/131607

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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/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
chemicalCompound:standardIn...	AELCINSCMGFISI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1CC1c2ccccc2
chemicalCompound:molecularF...	C9H11N
chemicalCompound:moleculeId	131607
chemicalCompound:mwFreebase	133.19
chemicalCompound:alogp	1.193
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	26.02
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.474
chemicalCompound:acdLogD	0.578
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	133.19
chemicalCompound:acdMostBpk...	8.24
chemicalCompound:chemblId	CHEMBL313833
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:231607
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:921735, activity:1221369, activity:2283376, activity:2283387, activity:2283398, activity:2283409, activity:2283420, activity:2283431, activity:2718499, activity:3805498, activity:5409649, activity:5714201, activity:5961651, activity:6266939, activity:6266954, activity:6427569