675686

Source:http://linkedlifedata.com/resource/chembl/compound/675686

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:77128
chemicalCompound:synonym	synonym:675686_Aplenzin_TRADE_NAME, synonym:675686_Bupropion Hydrobromide_USAN, synonym:675686_Bupropion hydrobromide_OTHER
chemicalCompound:standardIn...	InChI=1S/C13H18ClNO.BrH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H
chemicalCompound:standardIn...	WSTCENNATOVXKQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Br.CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
chemicalCompound:molecularF...	C13H19BrClNO
chemicalCompound:moleculeId	675686
chemicalCompound:mwFreebase	239.741
chemicalCompound:alogp	3.119
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	29.1
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.323
chemicalCompound:acdLogD	2.127
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	320.653
chemicalCompound:acdMostBpk...	7.158
chemicalCompound:chemblId	CHEMBL1201735
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775686
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	BUPROPION HYDROBROMIDE
chemicalCompound:firstAppro...	2008