112420

Source:http://linkedlifedata.com/resource/chembl/compound/112420

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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/C6H4N2O3S/c7-8-5-2-1-3-6(4-5)12(9,10)11/h1-4H
chemicalCompound:standardIn...	MQAGWJGGLKPBSC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-]S(=O)(=O)c1cccc(c1)[N+]#N
chemicalCompound:molecularF...	C6 H4 N2 O3 S
chemicalCompound:moleculeId	112420
chemicalCompound:mwFreebase	184.173
chemicalCompound:alogp	-0.964
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	93.72
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-1.99
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	184.173
chemicalCompound:chemblId	CHEMBL306833
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:212420
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:612369, activity:612370, activity:612371