699455

Source:http://linkedlifedata.com/resource/chembl/compound/699455

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:675267
chemicalCompound:synonym	synonym:699455_Propoxyphene hydrochloride_OTHER
chemicalCompound:standardIn...	InChI=1S/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/t18-,22+;/m1./s1
chemicalCompound:standardIn...	QMQBBUPJKANITL-MYXGOWFTSA-N
chemicalCompound:canonicalS...	Cl.CCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c2ccccc2
chemicalCompound:molecularF...	C22H30ClNO2
chemicalCompound:moleculeId	699455
chemicalCompound:mwFreebase	339.471
chemicalCompound:alogp	4.71
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	29.54
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.097
chemicalCompound:acdLogD	2.316
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	375.932
chemicalCompound:acdMostBpk...	9.195
chemicalCompound:chemblId	CHEMBL1237104
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:799455
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	PROPOXYPHENE HYDROCHLORIDE