480339

Source:http://linkedlifedata.com/resource/chembl/compound/480339

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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/C18H13ClF3N3O3/c19-14-3-1-10(5-13(14)18(20,21)22)7-25-9-23-15-4-2-11(24-16(27)8-26)6-12(15)17(25)28/h1-6,9,26H,7-8H2,(H,24,27)
chemicalCompound:standardIn...	IDYGCGYCHOUWQB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC(=O)Nc1ccc2N=CN(Cc3ccc(Cl)c(c3)C(F)(F)F)C(=O)c2c1
chemicalCompound:molecularF...	C18H13ClF3N3O3
chemicalCompound:moleculeId	480339
chemicalCompound:mwFreebase	411.762
chemicalCompound:alogp	2.594
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	82
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.709
chemicalCompound:acdLogP	3.849
chemicalCompound:acdLogD	3.849
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	411.762
chemicalCompound:acdMostBpk...	0.545
chemicalCompound:chemblId	CHEMBL466674
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:580339
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:2639850, activity:2639871, activity:2639881, activity:2639889, activity:2639897, activity:2639905, activity:2639913, activity:2639921, activity:2639929, activity:2639937, activity:2639945, activity:2913881, activity:2913882, activity:2913891, activity:2913895, activity:2913904, activity:2913908, activity:2913916, activity:2913917, activity:2913944, activity:2913962