480337

Source:http://linkedlifedata.com/resource/chembl/compound/480337

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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/C17H13Cl2N3O3/c18-13-3-1-10(5-14(13)19)7-22-9-20-15-4-2-11(21-16(24)8-23)6-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24)
chemicalCompound:standardIn...	ZZCPRLFJMWBCSV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC(=O)Nc1ccc2N=CN(Cc3ccc(Cl)c(Cl)c3)C(=O)c2c1
chemicalCompound:molecularF...	C17H13Cl2N3O3
chemicalCompound:moleculeId	480337
chemicalCompound:mwFreebase	378.209
chemicalCompound:alogp	2.317
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	82
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.707
chemicalCompound:acdLogP	3.447
chemicalCompound:acdLogD	3.447
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	378.209
chemicalCompound:acdMostBpk...	0.537
chemicalCompound:chemblId	CHEMBL444433
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:580337
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:2639848, activity:2639880, activity:2639888, activity:2639896, activity:2639904, activity:2639912, activity:2639920, activity:2639928, activity:2639936, activity:2639944, activity:2639950, activity:2639951, activity:2639952, activity:2639953, activity:2639954, activity:2639955, activity:2639956, activity:2639957, activity:2639958, activity:2639959, activity:2639960, activity:2639961, activity:2913883, activity:2913885, activity:2913893, activity:2913902, activity:2913907, activity:2913910, activity:2913913, activity:2913918, activity:2913945, activity:2913963