807913

Source:http://linkedlifedata.com/resource/chembl/compound/807913

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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/C22H20N4O4/c1-14-21(15(2)26(24-14)16-8-4-3-5-9-16)22(29)30-13-20(28)25-12-19(27)23-17-10-6-7-11-18(17)25/h3-11H,12-13H2,1-2H3,(H,23,27)
chemicalCompound:standardIn...	ADAPVAKTBMKFAW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nn(c(C)c1C(=O)OCC(=O)N2CC(=O)Nc3ccccc23)c4ccccc4
chemicalCompound:molecularF...	C22H20N4O4
chemicalCompound:moleculeId	807913
chemicalCompound:mwFreebase	404.419
chemicalCompound:alogp	1.988
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	93.53
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.578
chemicalCompound:acdLogP	2.065
chemicalCompound:acdLogD	2.065
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	404.419
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL1384029
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:907913
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:4238990, activity:5606119, activity:6702176, activity:6979950