74917

Source:http://linkedlifedata.com/resource/chembl/compound/74917

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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/C7H9NO2/c1-2-8-5-3-4-6(9)7(8)10/h3-5,9H,2H2,1H3
chemicalCompound:standardIn...	PFMJLYROOSGHMN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN1C=CC=C(O)C1=O
chemicalCompound:molecularF...	C7 H9 N O2
chemicalCompound:moleculeId	74917
chemicalCompound:mwFreebase	139.152
chemicalCompound:alogp	-0.307
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	40.54
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.043
chemicalCompound:acdLogP	0.451
chemicalCompound:acdLogD	0.437
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	139.152
chemicalCompound:acdMostBpk...	0.046
chemicalCompound:chemblId	CHEMBL300909
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:174917
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:509340, activity:509341, activity:509342, activity:587747, activity:587748, activity:587749, activity:718531, activity:718532, activity:718533, activity:718534