569917

Source:http://linkedlifedata.com/resource/chembl/compound/569917

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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/C19H19Cl2N3O4/c20-14-3-1-12(7-15(14)21)9-23-13-2-4-17-16(8-13)24(19(27)11-28-17)6-5-22-18(26)10-25/h1-4,7-8,23,25H,5-6,9-11H2,(H,22,26)
chemicalCompound:standardIn...	YFHCFMDYCXILIY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC(=O)NCCN1C(=O)COc2ccc(NCc3ccc(Cl)c(Cl)c3)cc12
chemicalCompound:molecularF...	C19H19Cl2N3O4
chemicalCompound:moleculeId	569917
chemicalCompound:mwFreebase	424.278
chemicalCompound:alogp	2.067
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	90.9
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.301
chemicalCompound:acdLogP	1.566
chemicalCompound:acdLogD	1.566
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	424.278
chemicalCompound:acdMostBpk...	3.408
chemicalCompound:chemblId	CHEMBL572876
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:669917
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:2913880, activity:2913888, activity:2913892, activity:2913896, activity:2913897, activity:2913898, activity:2913911, activity:2913915, activity:2913956, activity:2913968