569663

Source:http://linkedlifedata.com/resource/chembl/compound/569663

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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/C17H17N5O3/c23-17-6-2-5-16-13-7-12(10-21(16)17)9-20(11-13)19-18-14-3-1-4-15(8-14)22(24)25/h1-6,8,12-13H,7,9-11H2/b19-18+
chemicalCompound:standardIn...	AJLINNFJNFIEIS-VHEBQXMUSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1cccc(c1)N=NN2CC3CC(C2)C4=CC=CC(=O)N4C3
chemicalCompound:molecularF...	C17H17N5O3
chemicalCompound:moleculeId	569663
chemicalCompound:mwFreebase	339.349
chemicalCompound:alogp	1.986
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	94.09
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.856
chemicalCompound:acdLogD	2.856
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	339.349
chemicalCompound:chemblId	CHEMBL572646
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:669663
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:2913445, activity:2913491, activity:2913549, activity:2913607, activity:2913665, activity:2913723, activity:2913781, activity:2914211, activity:2914302, activity:2914360, activity:2914964, activity:2914989, activity:2915014