8694

Source:http://linkedlifedata.com/resource/chembl/compound/8694

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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/C10H9NO5S/c1-6-4-10(12)15-9-5-7(2-3-8(6)9)16-17(11,13)14/h2-5H,1H3,(H2,11,13,14)
chemicalCompound:standardIn...	UFGBGFMPBMEVMI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=CC(=O)Oc2cc(OS(=O)(=O)N)ccc12
chemicalCompound:molecularF...	C10 H9 N O5 S
chemicalCompound:moleculeId	8694
chemicalCompound:mwFreebase	255.247
chemicalCompound:alogp	1.083
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	104.07
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.252
chemicalCompound:acdLogP	0.955
chemicalCompound:acdLogD	0.899
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	255.247
chemicalCompound:chemblId	CHEMBL11185
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:108694
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:44310, activity:44311, activity:144202, activity:144203, activity:144204, activity:284571, activity:284572, activity:284573, activity:284574, activity:299999, activity:300000, activity:481068, activity:498768, activity:540154, activity:540155, activity:540156, activity:540157, activity:540158, activity:553724, activity:553725, activity:553726, activity:553727, activity:1047139, activity:1085453, activity:1085454, activity:1085455, activity:1085456, activity:1119663, activity:1119664, activity:1119665, activity:1119666, activity:1119667, activity:1119668, activity:1202550, activity:1202551, activity:1202552, activity:1656404, activity:1656405, activity:1656406, activity:1656848