225787

Source:http://linkedlifedata.com/resource/chembl/compound/225787

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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/C21H19F2N3O3S/c22-18-6-7-19(26-30(28,29)14-16-4-2-1-3-5-16)21(23)17(18)12-20(27)25-13-15-8-10-24-11-9-15/h1-11,26H,12-14H2,(H,25,27)
chemicalCompound:standardIn...	JJIYSOTZFHZHQI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(NS(=O)(=O)Cc2ccccc2)c(F)c1CC(=O)NCc3ccncc3
chemicalCompound:molecularF...	C21 H19 F2 N3 O3 S
chemicalCompound:moleculeId	225787
chemicalCompound:mwFreebase	431.456
chemicalCompound:alogp	2.411
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	96.54
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.587
chemicalCompound:acdLogP	2.878
chemicalCompound:acdLogD	2.845
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	431.456
chemicalCompound:acdMostBpk...	5.154
chemicalCompound:chemblId	CHEMBL335129
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:325787
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:949870, activity:949871, activity:949872