339929

Source:http://linkedlifedata.com/resource/chembl/compound/339929

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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/C20H16N6O3/c1-2-15(18(22-7-1)23-11-13-5-8-21-9-6-13)19-25-26-20(29-19)24-14-3-4-16-17(10-14)28-12-27-16/h1-10H,11-12H2,(H,22,23)(H,24,26)
chemicalCompound:standardIn...	NNMNQNZESDQXQW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C(Nc1ncccc1c2oc(Nc3ccc4OCOc4c3)nn2)c5ccncc5
chemicalCompound:molecularF...	C20 H16 N6 O3
chemicalCompound:moleculeId	339929
chemicalCompound:mwFreebase	388.379
chemicalCompound:alogp	1.981
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	107.22
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.637
chemicalCompound:acdLogD	1.634
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	388.379
chemicalCompound:acdMostBpk...	5.18
chemicalCompound:chemblId	CHEMBL204710
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:439929
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:1685297, activity:1685313, activity:1686146, activity:1686184, activity:1686196, activity:1686198, activity:1686199, activity:5293994, activity:5294022, activity:5294050, activity:5294078