675083

Source:http://linkedlifedata.com/resource/chembl/compound/675083

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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:77207
chemicalCompound:synonym	synonym:675083_EN-2234A_RESEARCH_CODE, synonym:675083_Nalbuphine Hydrochloride_USAN, synonym:675083_Nalbuphine_BAN, synonym:675083_Nalbuphine_INN, synonym:675083_Nubain_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C21H27NO4.ClH/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12;/h4-5,12,15-16,19,23-25H,1-3,6-11H2;1H/t15-,16+,19-,20-,21+;/m0./s1
chemicalCompound:standardIn...	YZLZPSJXMWGIFH-BCXQGASESA-N
chemicalCompound:canonicalS...	Cl.O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC6CCC6)c45
chemicalCompound:molecularF...	C21H28ClNO4
chemicalCompound:moleculeId	675083
chemicalCompound:mwFreebase	357.443
chemicalCompound:alogp	2.119
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	73.16
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.394
chemicalCompound:acdLogP	1.215
chemicalCompound:acdLogD	0.806
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	393.904
chemicalCompound:acdMostBpk...	7.347
chemicalCompound:chemblId	CHEMBL1201132
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775083
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	NALBUPHINE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:7455
chemicalCompound:activity	activity:3473312, activity:3490151, activity:4645358, activity:6592527