1108410

Source:http://linkedlifedata.com/resource/chembl/compound/1108410

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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/c1-11-4-5-14(12(2)8-11)10-18-17(21)13-6-7-15(19)16(9-13)20-3/h4-9,19H,10H2,1-3H3,(H,18,21)
chemicalCompound:standardIn...	YKAHRZBKDJJJCD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(ccc1O)C(=S)NCc2ccc(C)cc2C
chemicalCompound:molecularF...	C17H19NO2S
chemicalCompound:moleculeId	1108410
chemicalCompound:mwFreebase	301.403
chemicalCompound:alogp	4.429
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	73.58
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.96
chemicalCompound:acdLogP	3.879
chemicalCompound:acdLogD	3.863
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	301.403
chemicalCompound:acdMostBpk...	1.122
chemicalCompound:chemblId	CHEMBL1727679
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1208410
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:5419664, activity:5568329, activity:5652014, activity:6566107