46215

Source:http://linkedlifedata.com/resource/chembl/compound/46215

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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/C13H15N7O2S/c1-16-11(6-20(21)22)17-9-4-2-3-8(5-9)10-7-23-13(18-10)19-12(14)15/h2-7,16-17H,1H3,(H4,14,15,18,19)/b11-6-
chemicalCompound:standardIn...	UOFXCWBRZVEPBT-WDZFZDKYSA-N
chemicalCompound:canonicalS...	CN\C(=C\[N+](=O)[O-])\Nc1cccc(c1)c2csc(N=C(N)N)n2
chemicalCompound:molecularF...	C13 H15 N7 O2 S
chemicalCompound:moleculeId	46215
chemicalCompound:mwFreebase	333.369
chemicalCompound:alogp	0.626
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	175.41
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.555
chemicalCompound:acdLogD	0.555
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	333.369
chemicalCompound:acdMostBpk...	4.533
chemicalCompound:chemblId	CHEMBL33850
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:146215
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:546170, activity:546171, activity:546172, activity:546173, activity:546174, activity:546175, activity:546176