851361

Source:http://linkedlifedata.com/resource/chembl/compound/851361

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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/C10H7NO2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H,12,13)
chemicalCompound:standardIn...	QRDZFPUVLYEQTA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1cccc2cccnc12
chemicalCompound:molecularF...	C10H7NO2
chemicalCompound:moleculeId	851361
chemicalCompound:mwFreebase	173.168
chemicalCompound:alogp	1.646
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	50.19
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-2.379
chemicalCompound:acdLogP	1.959
chemicalCompound:acdLogD	-0.892
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	173.168
chemicalCompound:acdMostBpk...	7
chemicalCompound:chemblId	CHEMBL1427477
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:951361
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:4247351, activity:4374565, activity:5193073, activity:5193592, activity:5193651, activity:5193652, activity:5194298, activity:5194300, activity:5194361, activity:5194444, activity:5822790, activity:5930229, activity:6591885