72484

Source:http://linkedlifedata.com/resource/chembl/compound/72484

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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/C17H18F3NO3S2/c1-16(2,22)10-25-15-14(8-12(9-21-15)17(18,19)20)11-4-6-13(7-5-11)26(3,23)24/h4-9,22H,10H2,1-3H3
chemicalCompound:standardIn...	DHNTZEYGEFMOTJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(O)CSc1ncc(cc1c2ccc(cc2)S(=O)(=O)C)C(F)(F)F
chemicalCompound:molecularF...	C17 H18 F3 N O3 S2
chemicalCompound:moleculeId	72484
chemicalCompound:mwFreebase	405.455
chemicalCompound:alogp	3.79
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	100.94
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.297
chemicalCompound:acdLogD	2.297
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	405.455
chemicalCompound:chemblId	CHEMBL300710
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:172484
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:506028, activity:506029, activity:506030, activity:506031, activity:506032, activity:506033, activity:506034, activity:506035