290117

Source:http://linkedlifedata.com/resource/chembl/compound/290117

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C7H9NO2S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
chemicalCompound:standardIn...	NVZINPVISUVPHW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(c1)S(=O)(=O)N
chemicalCompound:molecularF...	C7 H9 N O2 S
chemicalCompound:moleculeId	290117
chemicalCompound:mwFreebase	171.217
chemicalCompound:alogp	1.021
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	68.54
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.168
chemicalCompound:acdLogP	1.03
chemicalCompound:acdLogD	1.03
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	171.217
chemicalCompound:chemblId	CHEMBL173363
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:390117
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:673927, activity:1421410, activity:1421411, activity:1421412, activity:1456474, activity:1456475, activity:1456476, activity:5131107, activity:5131127