164304

Source:http://linkedlifedata.com/resource/chembl/compound/164304

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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/C9H13N3O2S/c1-6(2)9-11-7-3-4-10-5-8(7)15(13,14)12-9/h3-6,9,11-12H,1-2H3
chemicalCompound:standardIn...	LFPAJKYKWPFEBG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)C1Nc2ccncc2S(=O)(=O)N1
chemicalCompound:molecularF...	C9 H13 N3 O2 S
chemicalCompound:moleculeId	164304
chemicalCompound:mwFreebase	227.283
chemicalCompound:alogp	0.479
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	79.47
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.778
chemicalCompound:acdLogP	0.391
chemicalCompound:acdLogD	0.257
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	227.283
chemicalCompound:acdMostBpk...	6.908
chemicalCompound:chemblId	CHEMBL320649
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:264304
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:1154463, activity:1154464