843417

Source:http://linkedlifedata.com/resource/chembl/compound/843417

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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/C21H18N6O4/c1-30-17-10-5-4-9-16(17)22-19(28)13-27-25-20(24-26-27)14-7-2-3-8-15(14)23-21(29)18-11-6-12-31-18/h2-12H,13H2,1H3,(H,22,28)(H,23,29)
chemicalCompound:standardIn...	FVUAYHOAIMYHJW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1NC(=O)Cn2nnc(n2)c3ccccc3NC(=O)c4occc4
chemicalCompound:molecularF...	C21H18N6O4
chemicalCompound:moleculeId	843417
chemicalCompound:mwFreebase	418.405
chemicalCompound:alogp	2.305
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	124.17
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.995
chemicalCompound:acdLogP	1.808
chemicalCompound:acdLogD	1.808
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	418.405
chemicalCompound:acdMostBpk...	1.401
chemicalCompound:chemblId	CHEMBL1419533
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:943417
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:3622278, activity:3685298, activity:3709363, activity:3832976, activity:3989205, activity:4070704, activity:4748163, activity:4763772, activity:4918739, activity:5475023, activity:5677714, activity:6962802, activity:7244551, activity:7331544