118947

Source:http://linkedlifedata.com/resource/chembl/compound/118947

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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/C15H14Cl2O5S/c16-13-10(22-7-12(18)19)5-9-6-11(8-3-1-2-4-8)23(20,21)15(9)14(13)17/h5-6,8H,1-4,7H2,(H,18,19)
chemicalCompound:standardIn...	WVXYCBUZNKJGNM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)COc1cc2C=C(C3CCCC3)S(=O)(=O)c2c(Cl)c1Cl
chemicalCompound:molecularF...	C15 H14 Cl2 O5 S
chemicalCompound:moleculeId	118947
chemicalCompound:mwFreebase	377.24
chemicalCompound:alogp	3.736
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	2.402
chemicalCompound:acdLogD	-1.302
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	377.24
chemicalCompound:chemblId	CHEMBL76049
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:218947
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:283487, activity:283488, activity:283489