976

Source:http://linkedlifedata.com/resource/chembl/compound/976

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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/C6H7IN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
chemicalCompound:standardIn...	HCODCRHNVCTCTR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ccc(cc1I)S(=O)(=O)N
chemicalCompound:molecularF...	C6H7IN2O2S
chemicalCompound:moleculeId	976
chemicalCompound:mwFreebase	298.101
chemicalCompound:alogp	0.366
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	94.55
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.846
chemicalCompound:acdLogP	0.797
chemicalCompound:acdLogD	0.797
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	298.101
chemicalCompound:chemblId	CHEMBL268177
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100976
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:31889, activity:31890, activity:31891, activity:31892, activity:78468, activity:283784, activity:283785, activity:283786, activity:466189, activity:466190, activity:466191, activity:466192, activity:629260, activity:629261, activity:629262, activity:629263, activity:661811, activity:661812, activity:661813, activity:745520, activity:745521, activity:745522, activity:1054363, activity:1054364, activity:1054365, activity:1093449, activity:1093450, activity:1093451, activity:1248182, activity:1248183, activity:1248184, activity:1265547, activity:1265548, activity:1265549, activity:1423464, activity:1423465, activity:1423466, activity:1423467, activity:1428615, activity:1428616, activity:1428617, activity:1436523, activity:1436524, activity:1436525, activity:1436526, activity:1438202, activity:1438203, activity:1438204, activity:1438205, activity:1438206, activity:1456142, activity:1456143, activity:1456144, activity:1461502, activity:1461503, activity:1461504, activity:1461505, activity:1461506, activity:1461507, activity:1655216, activity:1655217, activity:1655218, activity:1692873, activity:1692919, activity:1692965, activity:1693011, activity:1706517