675727

Source:http://linkedlifedata.com/resource/chembl/compound/675727

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:synonym	synonym:675727_Nucynta_TRADE_NAME, synonym:675727_Tapentadol_INN
chemicalCompound:standardIn...	InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1
chemicalCompound:standardIn...	KWTWDQCKEHXFFR-SMDDNHRTSA-N
chemicalCompound:canonicalS...	CC[C@H]([C@@H](C)CN(C)C)c1cccc(O)c1
chemicalCompound:molecularF...	C14H23NO
chemicalCompound:moleculeId	675727
chemicalCompound:mwFreebase	221.339
chemicalCompound:alogp	3.466
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.966
chemicalCompound:acdLogP	3.017
chemicalCompound:acdLogD	1.003
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	221.339
chemicalCompound:acdMostBpk...	9.453
chemicalCompound:chemblId	CHEMBL1201776
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775727
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	TAPENTADOL
chemicalCompound:firstAppro...	2008