832702

Source:http://linkedlifedata.com/resource/chembl/compound/832702

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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/C15H15NO3/c17-13-4-2-1-3-11(13)10-16-12-5-6-14-15(9-12)19-8-7-18-14/h1-6,9,16-17H,7-8,10H2
chemicalCompound:standardIn...	ZETHTGJGKKWXQZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccccc1CNc2ccc3OCCOc3c2
chemicalCompound:molecularF...	C15H15NO3
chemicalCompound:moleculeId	832702
chemicalCompound:mwFreebase	257.284
chemicalCompound:alogp	2.766
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	50.72
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.952
chemicalCompound:acdLogP	1.975
chemicalCompound:acdLogD	1.973
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	257.284
chemicalCompound:acdMostBpk...	4.066
chemicalCompound:chemblId	CHEMBL1408818
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:932702
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:3802873, activity:3832908, activity:3953985, activity:4009141, activity:4299859, activity:4465083, activity:4906075, activity:4974566, activity:5652114, activity:5684871, activity:5804198, activity:5870376, activity:6562740, activity:7161662, activity:7410622