458918

Source:http://linkedlifedata.com/resource/chembl/compound/458918

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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/C24H28Cl2N4O3/c1-24(2,3)33-23(32)29-16(13-27-12-15-8-9-18(25)19(26)10-15)14-28-22-11-21(31)17-6-4-5-7-20(17)30-22/h4-11,16,27H,12-14H2,1-3H3,(H,29,32)(H2,28,30,31)
chemicalCompound:standardIn...	UYYADWCAQONHOS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)OC(=O)NC(CNCc1ccc(Cl)c(Cl)c1)CNC2=CC(=O)c3ccccc3N2
chemicalCompound:molecularF...	C24H28Cl2N4O3
chemicalCompound:moleculeId	458918
chemicalCompound:mwFreebase	491.41
chemicalCompound:alogp	4.736
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	91.49
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.104
chemicalCompound:acdLogP	4.836
chemicalCompound:acdLogD	4.531
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	491.41
chemicalCompound:acdMostBpk...	7.861
chemicalCompound:chemblId	CHEMBL474564
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:558918
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:2283852, activity:2284911, activity:2284912, activity:2284913, activity:2284914, activity:2284915, activity:2284916, activity:2284917, activity:2284918, activity:2284919, activity:2284920, activity:2284985