461

Source:http://linkedlifedata.com/resource/chembl/compound/461

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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/C10H8ClNO2S/c11-6-1-2-8-7(5-6)10(9(13)12-8)14-3-4-15-10/h1-2,5H,3-4H2,(H,12,13)
chemicalCompound:standardIn...	WLGQOYSRXRIQBG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc2NC(=O)C3(OCCS3)c2c1
chemicalCompound:molecularF...	C10 H8 Cl N O2 S
chemicalCompound:moleculeId	461
chemicalCompound:mwFreebase	241.694
chemicalCompound:alogp	1.928
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	63.63
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.298
chemicalCompound:acdLogP	3.548
chemicalCompound:acdLogD	3.548
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	241.694
chemicalCompound:chemblId	CHEMBL6561
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100461
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:100461
chemicalCompound:activity	activity:452534, activity:452535, activity:452536, activity:452537, activity:452538, activity:452539, activity:452540, activity:452541, activity:452542, activity:452543, activity:452544, activity:452545