8580

Source:http://linkedlifedata.com/resource/chembl/compound/8580

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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/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-4-3-5-8(18)6-7/h3-6,18H,1-2H3,(H,14,15)
chemicalCompound:standardIn...	UZPPSCQEEUUJSB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)N(C)c2[nH]c(nc2C1=O)c3cccc(O)c3
chemicalCompound:molecularF...	C13 H12 N4 O3
chemicalCompound:moleculeId	8580
chemicalCompound:mwFreebase	272.259
chemicalCompound:alogp	1.099
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	89.53
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.122
chemicalCompound:acdLogP	0.991
chemicalCompound:acdLogD	0.873
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	272.259
chemicalCompound:acdMostBpk...	1.302
chemicalCompound:chemblId	CHEMBL11054
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:108580
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:860521, activity:860522, activity:861642, activity:861643, activity:861644