913933

Source:http://linkedlifedata.com/resource/chembl/compound/913933

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C20H17BrN2O2S/c21-18-11-13-19(14-12-18)26(24,25)23-20(17-9-5-2-6-10-17)22-15-16-7-3-1-4-8-16/h1-14H,15H2,(H,22,23)
chemicalCompound:standardIn...	YDCBHSHSEZTVQE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Brc1ccc(cc1)S(=O)(=O)NC(=NCc2ccccc2)c3ccccc3
chemicalCompound:molecularF...	C20H17BrN2O2S
chemicalCompound:moleculeId	913933
chemicalCompound:mwFreebase	429.33
chemicalCompound:alogp	4.781
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	66.91
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.107
chemicalCompound:acdLogP	4.902
chemicalCompound:acdLogD	3.079
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	429.33
chemicalCompound:chemblId	CHEMBL1490049
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1013933
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:3621297, activity:3769334, activity:4885685, activity:4937736, activity:5010886, activity:5741706