568858

Source:http://linkedlifedata.com/resource/chembl/compound/568858

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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/C22H23FN4O3/c1-14(28)27(2)11-10-24-19-12-18(21(29)20-17(19)4-3-9-25-20)22(30)26-13-15-5-7-16(23)8-6-15/h3-9,12,24,29H,10-11,13H2,1-2H3,(H,26,30)
chemicalCompound:standardIn...	OVFCNJTZFINERB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(CCNc1cc(C(=O)NCc2ccc(F)cc2)c(O)c3ncccc13)C(=O)C
chemicalCompound:molecularF...	C22H23FN4O3
chemicalCompound:moleculeId	568858
chemicalCompound:mwFreebase	410.441
chemicalCompound:alogp	1.978
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	94.56
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.15
chemicalCompound:acdLogD	1.599
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	410.441
chemicalCompound:acdMostBpk...	10.175
chemicalCompound:chemblId	CHEMBL575207
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668858
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:2920544