160052

Source:http://linkedlifedata.com/resource/chembl/compound/160052

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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/C13H16N4O7S3/c1-17-12(25-13(15-17)26(14,19)20)16-27(21,22)10-5-3-4-9(8-10)11(18)24-7-6-23-2/h3-5,8H,6-7H2,1-2H3,(H2,14,19,20)/b16-12+
chemicalCompound:standardIn...	GPUZIHLGFQGDPQ-FOWTUZBSSA-N
chemicalCompound:canonicalS...	COCCOC(=O)c1cccc(c1)S(=O)(=O)\N=C/2\SC(=NN2C)S(=O)(=O)N
chemicalCompound:molecularF...	C13 H16 N4 O7 S3
chemicalCompound:moleculeId	160052
chemicalCompound:mwFreebase	436.484
chemicalCompound:alogp	0.476
chemicalCompound:hba	11
chemicalCompound:hbd	1
chemicalCompound:psa	199.84
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.695
chemicalCompound:acdLogP	1.029
chemicalCompound:acdLogD	0.853
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	436.484
chemicalCompound:chemblId	CHEMBL95421
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:260052
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:128136, activity:128137, activity:128138