826949

Source:http://linkedlifedata.com/resource/chembl/compound/826949

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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/C12H12N2O4S/c1-6-4-5-8(18-6)10(15)14-12-13-7(2)9(19-12)11(16)17-3/h4-5H,1-3H3,(H,13,14,15)
chemicalCompound:standardIn...	OXGLMYQYCBGNSL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)c1sc(NC(=O)c2oc(C)cc2)nc1C
chemicalCompound:molecularF...	C12H12N2O4S
chemicalCompound:moleculeId	826949
chemicalCompound:mwFreebase	280.3
chemicalCompound:alogp	1.581
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	109.67
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.194
chemicalCompound:acdLogP	2.472
chemicalCompound:acdLogD	1.305
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	280.3
chemicalCompound:acdMostBpk...	1.418
chemicalCompound:chemblId	CHEMBL1403065
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:926949
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:3817000, activity:3855029, activity:3893185, activity:3894787, activity:3954576, activity:4083163, activity:4280503, activity:4538018, activity:4543497, activity:4744586, activity:4786921, activity:4792515, activity:4826293, activity:4903330, activity:5545224, activity:5629804, activity:5669902, activity:5954161, activity:6666587, activity:7124784, activity:7372855, activity:7456567