1002867

Source:http://linkedlifedata.com/resource/chembl/compound/1002867

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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/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3
chemicalCompound:standardIn...	VVAKEQGKZNKUSU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(N)c1C
chemicalCompound:molecularF...	C8H11N
chemicalCompound:moleculeId	1002867
chemicalCompound:mwFreebase	121.18
chemicalCompound:alogp	2.055
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	26.02
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.709
chemicalCompound:acdLogD	1.709
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	121.18
chemicalCompound:acdMostBpk...	4.575
chemicalCompound:chemblId	CHEMBL1578983
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1102867
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:3919649, activity:4106323, activity:4723427, activity:4783611, activity:6750613, activity:7050702