547576

Source:http://linkedlifedata.com/resource/chembl/compound/547576

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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:27342
chemicalCompound:synonym	synonym:547576_Atomoxetine Hydrochloride_USAN, synonym:547576_Atomoxetine hydrochloride_FDA_ALTERNATIVE_NAME, synonym:547576_Atomoxetine_BAN, synonym:547576_LY-139603_RESEARCH_CODE, synonym:547576_Strattera_TRADE_NAME, synonym:547576_Tomoxetine Hydrochloride_OTHER, synonym:547576_Tomoxetine_INN
chemicalCompound:standardIn...	InChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-;/m1./s1
chemicalCompound:standardIn...	LUCXVPAZUDVVBT-UNTBIKODSA-N
chemicalCompound:canonicalS...	Cl.CNCC[C@@H](Oc1ccccc1C)c2ccccc2
chemicalCompound:molecularF...	C17H22ClNO
chemicalCompound:moleculeId	547576
chemicalCompound:mwFreebase	255.355
chemicalCompound:alogp	3.577
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	21.26
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.359
chemicalCompound:acdLogD	0.767
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	291.816
chemicalCompound:acdMostBpk...	10.154
chemicalCompound:chemblId	CHEMBL1702
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:647576
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ATOMOXETINE HYDROCHLORIDE
chemicalCompound:firstAppro...	2002
chemicalCompound:activity	activity:467863, activity:5317109, activity:5318060, activity:5319011, activity:7049562