289460

Source:http://linkedlifedata.com/resource/chembl/compound/289460

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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/C6H6N2O4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)
chemicalCompound:standardIn...	TXTQURPQLVHJRE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
chemicalCompound:molecularF...	C6 H6 N2 O4 S
chemicalCompound:moleculeId	289460
chemicalCompound:mwFreebase	202.188
chemicalCompound:alogp	0.429
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	114.36
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.468
chemicalCompound:acdLogP	0.62
chemicalCompound:acdLogD	0.616
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	202.188
chemicalCompound:chemblId	CHEMBL367035
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:389460
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:672622, activity:1421835, activity:1421836, activity:1421837, activity:1453549, activity:1453550, activity:1453551, activity:1456598, activity:1456599, activity:1456600, activity:5131114, activity:5131134