785337

Source:http://linkedlifedata.com/resource/chembl/compound/785337

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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/C19H18N2O6/c1-25-13-8-10(9-14(26-2)17(13)27-3)18(22)21-15-11-6-4-5-7-12(11)20-16(15)19(23)24/h4-9,20H,1-3H3,(H,21,22)(H,23,24)
chemicalCompound:standardIn...	YTPOEHTZSQYFMP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(cc(OC)c1OC)C(=O)Nc2c([nH]c3ccccc23)C(=O)O
chemicalCompound:molecularF...	C19H18N2O6
chemicalCompound:moleculeId	785337
chemicalCompound:mwFreebase	370.356
chemicalCompound:alogp	2.78
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	109.88
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.348
chemicalCompound:acdLogP	3.068
chemicalCompound:acdLogD	0.259
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	370.356
chemicalCompound:chemblId	CHEMBL1361453
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:885337
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:4563416, activity:5681280, activity:7378963