674918

Source:http://linkedlifedata.com/resource/chembl/compound/674918

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:675196
chemicalCompound:synonym	synonym:674918_Bromodiphenhydramine hydrochloride_OTHER
chemicalCompound:standardIn...	InChI=1S/C17H20BrNO.ClH/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-11,17H,12-13H2,1-2H3;1H
chemicalCompound:standardIn...	ZQDJSWUEGOYDGT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN(C)CCOC(c1ccccc1)c2ccc(Br)cc2
chemicalCompound:molecularF...	C17H21BrClNO
chemicalCompound:moleculeId	674918
chemicalCompound:mwFreebase	334.251
chemicalCompound:alogp	4.133
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	12.47
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.031
chemicalCompound:acdLogD	2.707
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	370.712
chemicalCompound:acdMostBpk...	8.71
chemicalCompound:chemblId	CHEMBL1200967
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774918
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	BROMODIPHENHYDRAMINE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:59178