356815

Source:http://linkedlifedata.com/resource/chembl/compound/356815

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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/C13H13N3O3S/c1-19-12-6-2-10(3-7-12)15-16-11-4-8-13(9-5-11)20(14,17)18/h2-9H,1H3,(H2,14,17,18)/b16-15+
chemicalCompound:standardIn...	IPDZIIYOQAEWIC-FOCLMDBBSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)N
chemicalCompound:molecularF...	C13 H13 N3 O3 S
chemicalCompound:moleculeId	356815
chemicalCompound:mwFreebase	291.326
chemicalCompound:alogp	2.888
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	102.49
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.72
chemicalCompound:acdLogP	2.963
chemicalCompound:acdLogD	2.961
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	291.326
chemicalCompound:chemblId	CHEMBL213267
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:456815
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:1759905, activity:1759919, activity:1759932