17473

Source:http://linkedlifedata.com/resource/chembl/compound/17473

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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/C19H17N3O6/c1-2-15(23)16-13-7-6-12(9-14(13)22(28)17(16)24)21-19(27)20-11-5-3-4-10(8-11)18(25)26/h3-9,24,28H,2H2,1H3,(H,25,26)(H2,20,21,27)
chemicalCompound:standardIn...	QDLBIAXQKXJDGG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(=O)c1c(O)n(O)c2cc(NC(=O)Nc3cccc(c3)C(=O)O)ccc12
chemicalCompound:molecularF...	C19 H17 N3 O6
chemicalCompound:moleculeId	17473
chemicalCompound:mwFreebase	383.355
chemicalCompound:alogp	0.75
chemicalCompound:hba	6
chemicalCompound:hbd	5
chemicalCompound:psa	140.89
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.16
chemicalCompound:acdLogP	2.791
chemicalCompound:acdLogD	-0.207
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	383.355
chemicalCompound:acdMostBpk...	0.995
chemicalCompound:chemblId	CHEMBL16887
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:117473
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:192198, activity:192199, activity:192200