674279

Source:http://linkedlifedata.com/resource/chembl/compound/674279

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:192908
chemicalCompound:synonym	synonym:674279_Duloxetine Hydrochloride_USAN, synonym:674279_Duloxetine_BAN, synonym:674279_Duloxetine_INN, synonym:674279_LY-248686_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C18H19NOS.ClH/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m0./s1
chemicalCompound:standardIn...	BFFSMCNJSOPUAY-LMOVPXPDSA-N
chemicalCompound:canonicalS...	Cl.CNCC[C@H](Oc1cccc2ccccc12)c3cccs3
chemicalCompound:molecularF...	C18H20ClNOS
chemicalCompound:moleculeId	674279
chemicalCompound:mwFreebase	297.415
chemicalCompound:alogp	3.846
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	49.5
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.809
chemicalCompound:acdLogD	2.313
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	333.875
chemicalCompound:acdMostBpk...	10.019
chemicalCompound:chemblId	CHEMBL1200328
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774279
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	DULOXETINE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:31526
chemicalCompound:firstAppro...	2004
chemicalCompound:activity	activity:3438277, activity:3438278, activity:6739764, activity:7039748, activity:7064515, activity:7309664