50091

Source:http://linkedlifedata.com/resource/chembl/compound/50091

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:50091_NCG-C00093856-01_RESEARCH_CODE, synonym:50091_SKF-38393_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
chemicalCompound:standardIn...	JUDKOGFHZYMDMF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1cc2CCNCC(c3ccccc3)c2cc1O
chemicalCompound:molecularF...	C16H17NO2
chemicalCompound:moleculeId	50091
chemicalCompound:mwFreebase	255.312
chemicalCompound:alogp	2.631
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	52.48
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.129
chemicalCompound:acdLogP	2.026
chemicalCompound:acdLogD	-0.231
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	255.312
chemicalCompound:acdMostBpk...	9.655
chemicalCompound:chemblId	CHEMBL286080
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:150091
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:3489238, activity:3492353, activity:3744755, activity:3962138, activity:4064885, activity:4189453, activity:4378171, activity:4527641, activity:4528850, activity:5507940, activity:5749425, activity:5776115, activity:5779225, activity:5802537, activity:6779754, activity:7315328, activity:7556800