674886

Source:http://linkedlifedata.com/resource/chembl/compound/674886

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:291960
chemicalCompound:synonym	synonym:674886_Darifenacin Hydrobromide_USAN, synonym:674886_Darifenacin hydrobromide_OTHER
chemicalCompound:standardIn...	InChI=1S/C28H30N2O2.BrH/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26;/h1-12,19,25H,13-18,20H2,(H2,29,31);1H/t25-;/m1./s1
chemicalCompound:standardIn...	UQAVIASOPREUIT-VQIWEWKSSA-N
chemicalCompound:canonicalS...	Br.NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c4ccccc4)c5ccccc5
chemicalCompound:molecularF...	C28H31BrN2O2
chemicalCompound:moleculeId	674886
chemicalCompound:mwFreebase	426.55
chemicalCompound:alogp	4.557
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	55.56
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.783
chemicalCompound:acdLogD	1.946
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	507.462
chemicalCompound:acdMostBpk...	9.315
chemicalCompound:chemblId	CHEMBL1200935
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774886
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	DARIFENACIN HYDROBROMIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:31455
chemicalCompound:firstAppro...	2004