569833

Source:http://linkedlifedata.com/resource/chembl/compound/569833

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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/C21H18F6N4O3/c22-20(23,24)13-3-1-2-12(8-13)10-29-14-4-5-15-16(9-14)31(7-6-28-17(33)11-32)19(34)18(30-15)21(25,26)27/h1-5,8-9,29,32H,6-7,10-11H2,(H,28,33)
chemicalCompound:standardIn...	QNXMXQBKDPEQJB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC(=O)NCCN1C(=O)C(=Nc2ccc(NCc3cccc(c3)C(F)(F)F)cc12)C(F)(F)F
chemicalCompound:molecularF...	C21H18F6N4O3
chemicalCompound:moleculeId	569833
chemicalCompound:mwFreebase	488.383
chemicalCompound:alogp	2.982
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	94.03
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.29
chemicalCompound:acdLogP	1.146
chemicalCompound:acdLogD	1.146
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	488.383
chemicalCompound:acdMostBpk...	1.534
chemicalCompound:chemblId	CHEMBL575817
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:669833
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:2913894, activity:2913903, activity:2913923, activity:2913924, activity:2913925, activity:2913926, activity:2913927, activity:2913928, activity:2913953, activity:2913967