853489

Source:http://linkedlifedata.com/resource/chembl/compound/853489

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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/C17H13N3O4/c1-10(19-20-16(22)11-4-6-18-7-5-11)14-8-12-2-3-13(21)9-15(12)24-17(14)23/h2-9,21H,1H3,(H,20,22)
chemicalCompound:standardIn...	POIIUBLSZKGDBP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=NNC(=O)c1ccncc1)C2=Cc3ccc(O)cc3OC2=O
chemicalCompound:molecularF...	C17H13N3O4
chemicalCompound:moleculeId	853489
chemicalCompound:mwFreebase	323.303
chemicalCompound:alogp	1.291
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	100.88
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.236
chemicalCompound:acdLogP	1.981
chemicalCompound:acdLogD	1.678
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	323.303
chemicalCompound:acdMostBpk...	3.462
chemicalCompound:chemblId	CHEMBL1429605
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:953489
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:3606895, activity:3615783, activity:3744392, activity:3754508, activity:3786670, activity:4006758, activity:4061713, activity:4195929, activity:4261019, activity:4501273, activity:4756825, activity:4853214, activity:4985356, activity:5034144, activity:5334849, activity:5503036, activity:5513630, activity:5567639, activity:5813869, activity:5958677, activity:6495313, activity:6759060, activity:6924994, activity:7245143, activity:7562334