65996

Source:http://linkedlifedata.com/resource/chembl/compound/65996

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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:65996_PD-169469_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
chemicalCompound:standardIn...	GJOCABIDMCKCEG-INIZCTEOSA-N
chemicalCompound:canonicalS...	CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccc(Br)cc2)C(=O)O
chemicalCompound:molecularF...	C17 H18 Br N O4 S
chemicalCompound:moleculeId	65996
chemicalCompound:mwFreebase	412.298
chemicalCompound:alogp	3.816
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	91.85
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.372
chemicalCompound:acdLogP	5.005
chemicalCompound:acdLogD	1.322
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	412.298
chemicalCompound:chemblId	CHEMBL43152
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:165996
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:238310, activity:238311, activity:491017, activity:491018, activity:491019, activity:491020, activity:491021, activity:491022, activity:491023, activity:491024, activity:491025, activity:491026, activity:491027, activity:491028, activity:1675141, activity:1675148, activity:1675152, activity:2055168