1082473

Source:http://linkedlifedata.com/resource/chembl/compound/1082473

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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/C17H14N2O4/c1-11-7-17(21)23-15-8-13(4-5-14(11)15)22-10-16(20)19-12-3-2-6-18-9-12/h2-9H,10H2,1H3,(H,19,20)
chemicalCompound:standardIn...	YUSFHVMXKQHDSK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=CC(=O)Oc2cc(OCC(=O)Nc3cccnc3)ccc12
chemicalCompound:molecularF...	C17H14N2O4
chemicalCompound:moleculeId	1082473
chemicalCompound:mwFreebase	310.304
chemicalCompound:alogp	1.815
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	77.52
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.211
chemicalCompound:acdLogP	2.142
chemicalCompound:acdLogD	2.142
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	310.304
chemicalCompound:acdMostBpk...	4.202
chemicalCompound:chemblId	CHEMBL1701742
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1182473
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:5466467, activity:6764915, activity:6839209