119236

Source:http://linkedlifedata.com/resource/chembl/compound/119236

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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/C12H10Cl2O5S/c1-2-7-3-6-4-8(19-5-9(15)16)10(13)11(14)12(6)20(7,17)18/h3-4H,2,5H2,1H3,(H,15,16)
chemicalCompound:standardIn...	RFBLXKUINYSOJH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC1=Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2S1(=O)=O
chemicalCompound:molecularF...	C12 H10 Cl2 O5 S
chemicalCompound:moleculeId	119236
chemicalCompound:mwFreebase	337.176
chemicalCompound:alogp	2.876
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	89.05
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.702
chemicalCompound:acdLogP	1.466
chemicalCompound:acdLogD	-2.237
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	337.176
chemicalCompound:chemblId	CHEMBL74986
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:219236
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:283481, activity:283482, activity:283483, activity:283484, activity:283485, activity:283486