935294

Source:http://linkedlifedata.com/resource/chembl/compound/935294

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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/C12H19NO4/c1-15-10-4-3-5-11(16-2)12(10)17-9-7-13-6-8-14/h3-5,13-14H,6-9H2,1-2H3
chemicalCompound:standardIn...	OCKUWYAGEPEMHS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(OC)c1OCCNCCO
chemicalCompound:molecularF...	C12H19NO4
chemicalCompound:moleculeId	935294
chemicalCompound:mwFreebase	241.284
chemicalCompound:alogp	0.844
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	59.95
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-1.072
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	241.284
chemicalCompound:acdMostBpk...	8.345
chemicalCompound:chemblId	CHEMBL1511410
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1035294
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:3938532, activity:4334017, activity:4617218, activity:4711295, activity:6674779