311294

Source:http://linkedlifedata.com/resource/chembl/compound/311294

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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/C13H13N3O4S/c1-8(17)14-9-2-4-11(5-3-9)21-7-10-6-12(16-20-10)13(18)15-19/h2-6,19H,7H2,1H3,(H,14,17)(H,15,18)
chemicalCompound:standardIn...	PBEVYEXHWICOJU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1ccc(SCc2onc(c2)C(=O)NO)cc1
chemicalCompound:molecularF...	C13 H13 N3 O4 S
chemicalCompound:moleculeId	311294
chemicalCompound:mwFreebase	307.325
chemicalCompound:alogp	1.051
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	129.76
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.59
chemicalCompound:acdLogP	0.215
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	307.325
chemicalCompound:chemblId	CHEMBL185977
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:411294
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:1460962, activity:1460963