8414

Source:http://linkedlifedata.com/resource/chembl/compound/8414

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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/C13H13N5O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-4-3-5-8(14)6-7/h3-6H,14H2,1-2H3,(H,15,16)
chemicalCompound:standardIn...	YHFUPFABICLMEE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)N(C)c2[nH]c(nc2C1=O)c3cccc(N)c3
chemicalCompound:molecularF...	C13 H13 N5 O2
chemicalCompound:moleculeId	8414
chemicalCompound:mwFreebase	271.275
chemicalCompound:alogp	0.595
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	95.32
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.312
chemicalCompound:acdLogP	0.587
chemicalCompound:acdLogD	0.547
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	271.275
chemicalCompound:acdMostBpk...	3.819
chemicalCompound:chemblId	CHEMBL11033
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:108414
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:831369, activity:831370, activity:861645, activity:861646, activity:861647, activity:1178496, activity:1178497