699575

Source:http://linkedlifedata.com/resource/chembl/compound/699575

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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/C20H20N8O3/c29-17-5-3-4-14(12-17)13-21-26-19-23-18(24-20(25-19)27-10-1-2-11-27)22-15-6-8-16(9-7-15)28(30)31/h3-9,12-13,29H,1-2,10-11H2,(H2,22,23,24,25,26)/b21-13+
chemicalCompound:standardIn...	APGUYRIISVKQLA-FYJGNVAPSA-N
chemicalCompound:canonicalS...	Oc1cccc(\C=N\Nc2nc(Nc3ccc(cc3)[N+](=O)[O-])nc(n2)N4CCCC4)c1
chemicalCompound:molecularF...	C20H20N8O3
chemicalCompound:moleculeId	699575
chemicalCompound:mwFreebase	420.425
chemicalCompound:alogp	4.953
chemicalCompound:hba	10
chemicalCompound:hbd	3
chemicalCompound:psa	144.38
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.263
chemicalCompound:acdLogP	4.217
chemicalCompound:acdLogD	4.209
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	420.425
chemicalCompound:acdMostBpk...	4.618
chemicalCompound:chemblId	CHEMBL1237224
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:799575
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:2809933, activity:2816879, activity:2820574, activity:2838664, activity:2857134, activity:2867352