22882

Source:http://linkedlifedata.com/resource/chembl/compound/22882

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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/t7-/m1/s1
chemicalCompound:standardIn...	RQEUFEKYXDPUSK-SSDOTTSWSA-N
chemicalCompound:canonicalS...	C[C@@H](N)c1ccccc1
chemicalCompound:molecularF...	C8H11N
chemicalCompound:moleculeId	22882
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	CHEMBL19969
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:122882
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:35322
chemicalCompound:activity	activity:457790, activity:493044, activity:493045, activity:712960, activity:712961, activity:713239, activity:713240, activity:713241, activity:757799, activity:2638152, activity:2638190