1045879

Source:http://linkedlifedata.com/resource/chembl/compound/1045879

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Named Graph Language Inference

Statements in which the resource exists.
Subject	Predicate	Object	Context
chemicalCompound:1045879	chemicalCompound:standardIn...	InChI=1S/C17H21NO3/c1-20-16-9-5-8-15(12-18-10-11-19)17(16)21-13-14-6-3-2-4-7-14/h2-9,18-19H,10-13H2,1H3	lld:chembl
chemicalCompound:1045879	chemicalCompound:standardIn...	IOSCBARNLLHKFD-UHFFFAOYSA-N	lld:chembl
chemicalCompound:1045879	chemicalCompound:canonicalS...	COc1cccc(CNCCO)c1OCc2ccccc2	lld:chembl
chemicalCompound:1045879	chemicalCompound:molecularF...	C17H21NO3	lld:chembl
chemicalCompound:1045879	chemicalCompound:moleculeId	1045879	lld:chembl
chemicalCompound:1045879	chemicalCompound:mwFreebase	287.354	lld:chembl
chemicalCompound:1045879	chemicalCompound:alogp	2.378	lld:chembl
chemicalCompound:1045879	chemicalCompound:hba	4	lld:chembl
chemicalCompound:1045879	chemicalCompound:hbd	2	lld:chembl
chemicalCompound:1045879	chemicalCompound:psa	50.72	lld:chembl
chemicalCompound:1045879	chemicalCompound:rtb	8	lld:chembl
chemicalCompound:1045879	chemicalCompound:ro3Pass	N	lld:chembl
chemicalCompound:1045879	chemicalCompound:numRo5viol...	0	lld:chembl
chemicalCompound:1045879	chemicalCompound:medChemFri...	Y	lld:chembl
chemicalCompound:1045879	chemicalCompound:acdLogP	0.965	lld:chembl
chemicalCompound:1045879	chemicalCompound:acdLogD	0	lld:chembl
chemicalCompound:1045879	chemicalCompound:molecularS...	molecularSpecies:NEUTRAL	lld:chembl
chemicalCompound:1045879	chemicalCompound:fullMwt	287.354	lld:chembl
chemicalCompound:1045879	chemicalCompound:acdMostBpk...	8.223	lld:chembl
chemicalCompound:1045879	chemicalCompound:chemblId	CHEMBL1622928	lld:chembl
chemicalCompound:1045879	chemicalCompound:maxPhase	0	lld:chembl
chemicalCompound:1045879	chemicalCompound:therapeuti...	0	lld:chembl
chemicalCompound:1045879	chemicalCompound:dosedIngre...	No	lld:chembl
chemicalCompound:1045879	chemicalCompound:structureT...	structureType:MOL	lld:chembl
chemicalCompound:1045879	chemicalCompound:chebi	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:1045879	chemicalCompound:moleculeTy...	moleculeType:Small molecule	lld:chembl
chemicalCompound:1045879	chemicalCompound:oral	No	lld:chembl
chemicalCompound:1045879	chemicalCompound:parenteral	No	lld:chembl
chemicalCompound:1045879	chemicalCompound:topical	No	lld:chembl
chemicalCompound:1045879	chemicalCompound:blackBoxWa...	No	lld:chembl
chemicalCompound:1045879	chemicalCompound:naturalPro...	No	lld:chembl
chemicalCompound:1045879	chemicalCompound:proDrug	No	lld:chembl
chemicalCompound:904208	chemicalCompound:parent	chemicalCompound:1045879	lld:chembl