633703

Source:http://linkedlifedata.com/resource/chembl/compound/633703

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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/C9H5N3O6S/c13-8(5-1-2-18-4-5)10-9-6(11(14)15)3-7(19-9)12(16)17/h1-4H,(H,10,13)
chemicalCompound:standardIn...	YXMTVYADZLXOQP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1cc(c(NC(=O)c2cocc2)s1)[N+](=O)[O-]
chemicalCompound:molecularF...	C9H5N3O6S
chemicalCompound:moleculeId	633703
chemicalCompound:mwFreebase	283.217
chemicalCompound:alogp	1.418
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	162.11
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.419
chemicalCompound:acdLogP	2.013
chemicalCompound:acdLogD	2.012
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	283.217
chemicalCompound:chemblId	CHEMBL1084745
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:733703
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:3303015, activity:3303030, activity:3303045, activity:3303060