71916

Source:http://linkedlifedata.com/resource/chembl/compound/71916

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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/C19H20F3NO4S/c1-28(25,26)15-6-4-13(5-7-15)16-10-14(19(20,21)22)11-23-17(16)27-12-18(24)8-2-3-9-18/h4-7,10-11,24H,2-3,8-9,12H2,1H3
chemicalCompound:standardIn...	BQJIFVOOSUPULW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)c1ccc(cc1)c2cc(cnc2OCC3(O)CCCC3)C(F)(F)F
chemicalCompound:molecularF...	C19 H20 F3 N O4 S
chemicalCompound:moleculeId	71916
chemicalCompound:mwFreebase	415.427
chemicalCompound:alogp	3.907
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	84.87
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.492
chemicalCompound:acdLogD	3.492
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	415.427
chemicalCompound:acdMostBpk...	0.541
chemicalCompound:chemblId	CHEMBL45583
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:171916
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:506019, activity:506020, activity:506021, activity:506022, activity:506023, activity:506024, activity:506025, activity:506026, activity:506027