233018

Source:http://linkedlifedata.com/resource/chembl/compound/233018

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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/C13H6Cl2F5N3O5S2/c14-5-2(29(21,25)26)1-3(30(22,27)28)12(6(5)15)23-13(24)4-7(16)9(18)11(20)10(19)8(4)17/h1H,(H,23,24)(H2,21,25,26)(H2,22,27,28)
chemicalCompound:standardIn...	DYYRJDJMPDUTHO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NS(=O)(=O)c1cc(c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1Cl)S(=O)(=O)N
chemicalCompound:molecularF...	C13 H6 Cl2 F5 N3 O5 S2
chemicalCompound:moleculeId	233018
chemicalCompound:mwFreebase	514.232
chemicalCompound:alogp	2.381
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	166.18
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.973
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-0.152
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	514.232
chemicalCompound:chemblId	CHEMBL140554
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:333018
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:484028, activity:484029, activity:484030