205523

Source:http://linkedlifedata.com/resource/chembl/compound/205523

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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/C23H25N3O7S2/c24-16(11-14-7-3-1-4-8-14)22(29)26-35(30,31)32-12-18-19(27)20(28)21(33-18)23-25-17(13-34-23)15-9-5-2-6-10-15/h1-10,13,16,18-21,27-28H,11-12,24H2,(H,26,29)/t16-,18+,19+,20+,21+/m0/s1
chemicalCompound:standardIn...	GBXKXGBYXJYVMO-OUJGAGHGSA-N
chemicalCompound:canonicalS...	N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)c3nc(cs3)c4ccccc4
chemicalCompound:molecularF...	C23 H25 N3 O7 S2
chemicalCompound:moleculeId	205523
chemicalCompound:mwFreebase	519.591
chemicalCompound:alogp	0.882
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	197.68
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.278
chemicalCompound:acdLogP	1.453
chemicalCompound:acdLogD	-0.627
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	519.591
chemicalCompound:acdMostBpk...	7.202
chemicalCompound:chemblId	CHEMBL127892
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:305523
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:272849, activity:272850, activity:272851