568859

Source:http://linkedlifedata.com/resource/chembl/compound/568859

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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/C20H18FN3O3/c1-12(25)24(2)17-10-16(19(26)18-15(17)4-3-9-22-18)20(27)23-11-13-5-7-14(21)8-6-13/h3-10,26H,11H2,1-2H3,(H,23,27)
chemicalCompound:standardIn...	IFSAKYXOHQHUQS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C(=O)C)c1cc(C(=O)NCc2ccc(F)cc2)c(O)c3ncccc13
chemicalCompound:molecularF...	C20H18FN3O3
chemicalCompound:moleculeId	568859
chemicalCompound:mwFreebase	367.374
chemicalCompound:alogp	2.097
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	82.53
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.779
chemicalCompound:acdLogP	2.298
chemicalCompound:acdLogD	0.678
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	367.374
chemicalCompound:acdMostBpk...	8.12
chemicalCompound:chemblId	CHEMBL573605
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668859
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:2920543