310257

Source:http://linkedlifedata.com/resource/chembl/compound/310257

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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/C18H18Cl2F3N3O/c19-15-7-2-12(10-16(15)20)11-24-8-1-9-25-17(27)26-14-5-3-13(4-6-14)18(21,22)23/h2-7,10,24H,1,8-9,11H2,(H2,25,26,27)
chemicalCompound:standardIn...	MLSLDRDAFBEGJY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)(F)c1ccc(NC(=O)NCCCNCc2ccc(Cl)c(Cl)c2)cc1
chemicalCompound:molecularF...	C18 H18 Cl2 F3 N3 O
chemicalCompound:moleculeId	310257
chemicalCompound:mwFreebase	420.256
chemicalCompound:alogp	4.466
chemicalCompound:hba	2
chemicalCompound:hbd	3
chemicalCompound:psa	53.16
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.591
chemicalCompound:acdLogP	4.286
chemicalCompound:acdLogD	3.348
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	420.256
chemicalCompound:acdMostBpk...	8.329
chemicalCompound:chemblId	CHEMBL185227
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:410257
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:1456732