118826

Source:http://linkedlifedata.com/resource/chembl/compound/118826

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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/C13H12Cl2O5S/c1-2-3-8-4-7-5-9(20-6-10(16)17)11(14)12(15)13(7)21(8,18)19/h4-5H,2-3,6H2,1H3,(H,16,17)
chemicalCompound:standardIn...	RLVJZZOYJGMPQE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCC1=Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2S1(=O)=O
chemicalCompound:molecularF...	C13 H12 Cl2 O5 S
chemicalCompound:moleculeId	118826
chemicalCompound:mwFreebase	351.202
chemicalCompound:alogp	3.332
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	89.05
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.702
chemicalCompound:acdLogP	1.976
chemicalCompound:acdLogD	-1.728
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	351.202
chemicalCompound:chemblId	CHEMBL73597
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:218826
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:273859, activity:273860, activity:273861, activity:273862, activity:273863, activity:273864, activity:273865, activity:273866, activity:273867, activity:273868, activity:273869, activity:273870, activity:273871, activity:273872, activity:273873, activity:273874, activity:273875, activity:273876, activity:273877