800

Source:http://linkedlifedata.com/resource/chembl/compound/800

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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/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
chemicalCompound:standardIn...	FXNSVEQMUYPYJS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCCc1ccc(cc1)S(=O)(=O)N
chemicalCompound:molecularF...	C8H12N2O2S
chemicalCompound:moleculeId	800
chemicalCompound:mwFreebase	200.258
chemicalCompound:alogp	-0.038
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	94.56
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.155
chemicalCompound:acdLogP	-0.313
chemicalCompound:acdLogD	-2.341
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	200.258
chemicalCompound:acdMostBpk...	9.438
chemicalCompound:chemblId	CHEMBL7087
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100800
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:46565
chemicalCompound:activity	activity:46291, activity:46292, activity:46293, activity:46294, activity:98060, activity:293483, activity:293484, activity:293485, activity:516769, activity:516770, activity:516771, activity:516772, activity:516773, activity:616621, activity:616622, activity:616623, activity:616624, activity:643981, activity:643982, activity:643983, activity:746705, activity:746706, activity:746707, activity:1012061, activity:1050721, activity:1050722, activity:1050723, activity:1085767, activity:1085768, activity:1085769, activity:1232481, activity:1232482, activity:1232483, activity:1251808, activity:1251809, activity:1251810, activity:1423347, activity:1423348, activity:1423349, activity:1423350, activity:1426400, activity:1426401, activity:1426402, activity:1436072, activity:1436073, activity:1436074, activity:1436075, activity:1437908, activity:1437909, activity:1437910, activity:1437911, activity:1437912, activity:1455364, activity:1455365, activity:1455473, activity:1455474, activity:1456534, activity:1456535, activity:1456536, activity:1461369, activity:1461370, activity:1461371, activity:1461372, activity:1461373, activity:1461374