139281

Source:http://linkedlifedata.com/resource/chembl/compound/139281

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:139281_Bumetanide_BAN, synonym:139281_Bumetanide_FDA_ALTERNATIVE_NAME, synonym:139281_Bumetanide_INN, synonym:139281_Bumetanide_JAN, synonym:139281_Bumetanide_TRADE_NAME, synonym:139281_Bumetanide_USAN, synonym:139281_Bumetanide_USP, synonym:139281_Bumex_TRADE_NAME, synonym:139281_Burinex_TRADE_NAME, synonym:139281_Lixil_TRADE_NAME, synonym:139281_Ro-10-6338_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)
chemicalCompound:standardIn...	MAEIEVLCKWDQJH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O
chemicalCompound:molecularF...	C17H20N2O5S
chemicalCompound:moleculeId	139281
chemicalCompound:mwFreebase	364.416
chemicalCompound:alogp	2.862
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	127.1
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.179
chemicalCompound:acdLogP	2.883
chemicalCompound:acdLogD	-0.084
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	364.416
chemicalCompound:acdMostBpk...	4.481
chemicalCompound:chemblId	CHEMBL1072
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:239281
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	BUMETANIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:3213
chemicalCompound:firstAppro...	1983
chemicalCompound:activity	activity:33740, activity:891910, activity:891911, activity:891912, activity:891913, activity:1116282, activity:1116283, activity:2060239, activity:2162581, activity:2162593, activity:2162605, activity:2162617, activity:2162629, activity:2162641, activity:2162653, activity:2162665, activity:2162677, activity:2162689, activity:2162701, activity:2162713, activity:2589712, activity:2671429, activity:2671430, activity:2978395, activity:2979629, activity:2990516, activity:2990726, activity:2993404, activity:2994669, activity:2994839, activity:2996196, activity:2996360, activity:3264636, activity:3393598, activity:3393599, activity:3393600, activity:3393601, activity:3393602, activity:3393603, activity:3393604, activity:3393605, activity:3393606, activity:3393607, activity:3393608, activity:3393609, activity:3393610, activity:3393611, activity:3393612, activity:3393613, activity:3491151, activity:3636548, activity:3649779