1108213

Source:http://linkedlifedata.com/resource/chembl/compound/1108213

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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/C17H19NO2S/c19-13-14-6-4-7-15(12-14)18-17(20)10-5-11-21-16-8-2-1-3-9-16/h1-4,6-9,12,19H,5,10-11,13H2,(H,18,20)
chemicalCompound:standardIn...	WKFBGGMXAQVDLY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCc1cccc(NC(=O)CCCSc2ccccc2)c1
chemicalCompound:molecularF...	C17H19NO2S
chemicalCompound:moleculeId	1108213
chemicalCompound:mwFreebase	301.403
chemicalCompound:alogp	2.973
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	74.63
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.797
chemicalCompound:acdLogD	2.797
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	301.403
chemicalCompound:acdMostBpk...	0.484
chemicalCompound:chemblId	CHEMBL1727482
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1208213
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:5436761, activity:5681238, activity:6633172, activity:6805693, activity:7447265, activity:10602728