1023400

Source:http://linkedlifedata.com/resource/chembl/compound/1023400

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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/C14H14N2O4/c1-9(17)20-8-14(19)16-7-13(18)11-6-15-12-5-3-2-4-10(11)12/h2-6,15H,7-8H2,1H3,(H,16,19)
chemicalCompound:standardIn...	CLLKDFYBCRKPMO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)OCC(=O)NCC(=O)c1c[nH]c2ccccc12
chemicalCompound:molecularF...	C14H14N2O4
chemicalCompound:moleculeId	1023400
chemicalCompound:mwFreebase	274.272
chemicalCompound:alogp	0.63
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	88.26
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.574
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	274.272
chemicalCompound:chemblId	CHEMBL1599516
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1123400
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:3888733, activity:4304199, activity:4776606, activity:4828325, activity:6623221, activity:7144115