641656

Source:http://linkedlifedata.com/resource/chembl/compound/641656

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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/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)
chemicalCompound:standardIn...	ZPBSAMLXSQCSOX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OS(=O)(=O)c1ccc2c(cc(cc2c1)S(=O)(=O)O)S(=O)(=O)O
chemicalCompound:molecularF...	C10H8O9S3
chemicalCompound:moleculeId	641656
chemicalCompound:mwFreebase	368.36
chemicalCompound:alogp	0.736
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	188.24
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-0.759
chemicalCompound:acdLogP	-4.187
chemicalCompound:acdLogD	-9.687
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	368.36
chemicalCompound:chemblId	CHEMBL1160117
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:741656
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	NAPHTHALENE TRISULFONATE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:32916
chemicalCompound:activity	activity:1249603, activity:1249604, activity:1249605, activity:1249606