622719

Source:http://linkedlifedata.com/resource/chembl/compound/622719

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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/C22H16N2O3/c25-21-18(22(26)27)14-24(19-7-4-12-23-20(19)21)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,26,27)
chemicalCompound:standardIn...	GFKUETCHMIRCOJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)C1=CN(Cc2ccc(cc2)c3ccccc3)c4cccnc4C1=O
chemicalCompound:molecularF...	C22H16N2O3
chemicalCompound:moleculeId	622719
chemicalCompound:mwFreebase	356.374
chemicalCompound:alogp	3.536
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	70.5
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.183
chemicalCompound:acdLogP	3.225
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	356.374
chemicalCompound:acdMostBpk...	1.657
chemicalCompound:chemblId	CHEMBL1089453
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:722719
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:3258894, activity:3258895, activity:3258896, activity:3258967, activity:3258997, activity:3259030, activity:3259063