933

Source:http://linkedlifedata.com/resource/chembl/compound/933

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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/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)
chemicalCompound:standardIn...	BDLSLORLEPSOGW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N
chemicalCompound:molecularF...	C8H9N5O4S3
chemicalCompound:moleculeId	933
chemicalCompound:mwFreebase	335.383
chemicalCompound:alogp	-0.709
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	203.13
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.554
chemicalCompound:acdLogP	-0.078
chemicalCompound:acdLogD	-2.104
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	335.383
chemicalCompound:acdMostBpk...	1.032
chemicalCompound:chemblId	CHEMBL268439
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100933
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:31893, activity:31894, activity:31895, activity:31896, activity:72925, activity:432146, activity:432147, activity:432148, activity:432149, activity:522007, activity:522008, activity:522009, activity:522010, activity:522011, activity:597839, activity:597840, activity:597841, activity:597842, activity:746714, activity:746715, activity:746716, activity:1008841, activity:1008842, activity:1008843, activity:1008844, activity:1008845, activity:1008846, activity:1008847, activity:1008848, activity:1008849, activity:1008850, activity:1059378, activity:1059379, activity:1059380, activity:1231398, activity:1231399, activity:1231400, activity:1425215, activity:1425216, activity:1425217, activity:1436661, activity:1436662, activity:1436663, activity:1436664, activity:1457309, activity:1457310, activity:1457311, activity:1457312, activity:1655231, activity:1655232, activity:1655233, activity:1692868, activity:1692914, activity:1692960, activity:1693006, activity:1708275, activity:1708310, activity:1708345, activity:1708380, activity:1804142, activity:1804156, activity:1804170, activity:1804184, activity:1967245, activity:1967289, activity:1967335