470105

Source:http://linkedlifedata.com/resource/chembl/compound/470105

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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/C12H11BrO2S/c13-5-3-8-4-6-16-12(8)9-1-2-10(14)11(15)7-9/h1-2,4,6-7,14-15H,3,5H2
chemicalCompound:standardIn...	OHYRNCYWZSDKOT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc(cc1O)c2sccc2CCBr
chemicalCompound:molecularF...	C12H11BrO2S
chemicalCompound:moleculeId	470105
chemicalCompound:mwFreebase	299.184
chemicalCompound:alogp	3.883
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	68.7
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.282
chemicalCompound:acdLogP	3.424
chemicalCompound:acdLogD	3.415
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	299.184
chemicalCompound:chemblId	CHEMBL445598
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:570105
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:2363687, activity:2363706, activity:2363725, activity:2363748, activity:2363749, activity:2363786, activity:2363787, activity:2363823, activity:2363824, activity:2363861, activity:2363862, activity:3245990