119237

Source:http://linkedlifedata.com/resource/chembl/compound/119237

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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/C11H8Cl2O5S/c1-5-2-6-3-7(18-4-8(14)15)9(12)10(13)11(6)19(5,16)17/h2-3H,4H2,1H3,(H,14,15)
chemicalCompound:standardIn...	RGAITLAGUXNDFI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2S1(=O)=O
chemicalCompound:molecularF...	C11 H8 Cl2 O5 S
chemicalCompound:moleculeId	119237
chemicalCompound:mwFreebase	323.149
chemicalCompound:alogp	2.352
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	89.05
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.702
chemicalCompound:acdLogP	0.957
chemicalCompound:acdLogD	-2.747
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	323.149
chemicalCompound:chemblId	CHEMBL74780
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:219237
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:293207, activity:293208, activity:293209, activity:293210, activity:293211, activity:293212