730833

Source:http://linkedlifedata.com/resource/chembl/compound/730833

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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/C13H12N2O4S2/c1-7-2-4-20-10(7)13(18)19-6-9(16)15-12-8(11(14)17)3-5-21-12/h2-5H,6H2,1H3,(H2,14,17)(H,15,16)
chemicalCompound:standardIn...	HBSVYAQHBPRWHF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccsc1C(=O)OCC(=O)Nc2sccc2C(=O)N
chemicalCompound:molecularF...	C13H12N2O4S2
chemicalCompound:moleculeId	730833
chemicalCompound:mwFreebase	324.375
chemicalCompound:alogp	1.55
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	154.97
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.792
chemicalCompound:acdLogP	2.837
chemicalCompound:acdLogD	2.837
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	324.375
chemicalCompound:chemblId	CHEMBL1306949
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:830833
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:3776317, activity:3819881, activity:3846848, activity:4021609, activity:4050972, activity:4324113, activity:4716841, activity:4780708, activity:4834155, activity:4907606, activity:5514698, activity:5593174, activity:5660698, activity:5894442, activity:6448904, activity:6560393, activity:7196098, activity:7247751, activity:7315425, activity:7414893, activity:8323005