174802

Source:http://linkedlifedata.com/resource/chembl/compound/174802

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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/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H
chemicalCompound:standardIn...	CKRZKMFTZCFYGB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	ONc1ccccc1
chemicalCompound:molecularF...	C6 H7 N O
chemicalCompound:moleculeId	174802
chemicalCompound:mwFreebase	109.126
chemicalCompound:alogp	1.61
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	32.26
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9
chemicalCompound:acdLogP	0.142
chemicalCompound:acdLogD	0.131
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	109.126
chemicalCompound:acdMostBpk...	3.241
chemicalCompound:chemblId	CHEMBL320474
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:274802
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:28902
chemicalCompound:activity	activity:245701, activity:245702, activity:245703, activity:953274