161281

Source:http://linkedlifedata.com/resource/chembl/compound/161281

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:161281_Desvenlafaxine_INN, synonym:161281_O-Desmethylvenlafaxine (Odv)_OTHER, synonym:161281_Pristiq_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
chemicalCompound:standardIn...	KYYIDSXMWOZKMP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CC(c1ccc(O)cc1)C2(O)CCCCC2
chemicalCompound:molecularF...	C16 H25 N O2
chemicalCompound:moleculeId	161281
chemicalCompound:mwFreebase	263.375
chemicalCompound:alogp	2.796
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	43.7
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.036
chemicalCompound:acdLogP	1.741
chemicalCompound:acdLogD	-0.001
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	263.375
chemicalCompound:acdMostBpk...	9.33
chemicalCompound:chemblId	CHEMBL1118
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:261281
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	DESVENLAFAXINE
chemicalCompound:firstAppro...	2008
chemicalCompound:activity	activity:737822, activity:737823, activity:737824, activity:7837672, activity:7837673, activity:7837674, activity:7837675, activity:7837676, activity:7837677, activity:7837678, activity:7837679, activity:7837680, activity:7837681, activity:7837682, activity:7837683, activity:7837684, activity:7837685