263077

Source:http://linkedlifedata.com/resource/chembl/compound/263077

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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/C19H21NO3/c1-20-6-5-19-13-7-11(10-21)8-16(19)23-18-15(22-2)4-3-12(17(18)19)9-14(13)20/h3-4,8,10,13-14,16H,5-7,9H2,1-2H3
chemicalCompound:standardIn...	XTIVAPSOXQJPHH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3C4CC(=CC5Oc1c2C45CCN3C)C=O
chemicalCompound:molecularF...	C19 H21 N O3
chemicalCompound:moleculeId	263077
chemicalCompound:mwFreebase	311.375
chemicalCompound:alogp	2.216
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	38.76
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.829
chemicalCompound:acdLogD	-0.052
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	311.375
chemicalCompound:acdMostBpk...	8.222
chemicalCompound:chemblId	CHEMBL160873
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:363077
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:217575, activity:217576