225991

Source:http://linkedlifedata.com/resource/chembl/compound/225991

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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/C24H25F2N3O3S/c1-29(2)19-10-8-17(9-11-19)15-27-23(30)14-20-21(25)12-13-22(24(20)26)28-33(31,32)16-18-6-4-3-5-7-18/h3-13,28H,14-16H2,1-2H3,(H,27,30)
chemicalCompound:standardIn...	VEKDJUKJLMGDLS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)c1ccc(CNC(=O)Cc2c(F)ccc(NS(=O)(=O)Cc3ccccc3)c2F)cc1
chemicalCompound:molecularF...	C24 H25 F2 N3 O3 S
chemicalCompound:moleculeId	225991
chemicalCompound:mwFreebase	473.535
chemicalCompound:alogp	3.724
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	86.88
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.602
chemicalCompound:acdLogP	3.727
chemicalCompound:acdLogD	3.696
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	473.535
chemicalCompound:acdMostBpk...	4.832
chemicalCompound:chemblId	CHEMBL336302
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:325991
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:961518, activity:961519, activity:961520