827699

Source:http://linkedlifedata.com/resource/chembl/compound/827699

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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/C13H15N7OS2/c1-4-10-16-18-12(23-10)15-9(21)6-22-13-19-17-11-14-7(2)5-8(3)20(11)13/h5H,4,6H2,1-3H3,(H,15,18,21)
chemicalCompound:standardIn...	JZDJPSJSHGCDRV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1nnc(NC(=O)CSc2nnc3nc(C)cc(C)n23)s1
chemicalCompound:molecularF...	C13H15N7OS2
chemicalCompound:moleculeId	827699
chemicalCompound:mwFreebase	349.434
chemicalCompound:alogp	1.906
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	151.5
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.383
chemicalCompound:acdLogP	2.489
chemicalCompound:acdLogD	2.443
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	349.434
chemicalCompound:acdMostBpk...	0.39
chemicalCompound:chemblId	CHEMBL1403815
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:927699
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:4251593, activity:5048335, activity:5413995, activity:5569768, activity:5856425, activity:5871941, activity:6552106, activity:7533816, activity:8314062