266159

Source:http://linkedlifedata.com/resource/chembl/compound/266159

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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/C21H20N8O5/c1-2-29(10-12-9-24-18-16(25-12)17(22)27-21(23)28-18)13-5-3-11(4-6-13)19(32)26-14(20(33)34)7-8-15(30)31/h1,3-6,9,14H,7-8,10H2,(H,26,32)(H,30,31)(H,33,34)(H4,22,23,24,27,28)
chemicalCompound:standardIn...	GVOLBCKIYMYHBJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(N)c2nc(CN(C#C)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1
chemicalCompound:molecularF...	C21 H20 N8 O5
chemicalCompound:moleculeId	266159
chemicalCompound:mwFreebase	464.434
chemicalCompound:alogp	1
chemicalCompound:hba	12
chemicalCompound:hbd	5
chemicalCompound:psa	210.54
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.417
chemicalCompound:acdLogP	0.426
chemicalCompound:acdLogD	-4.273
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	464.434
chemicalCompound:acdMostBpk...	5.265
chemicalCompound:chemblId	CHEMBL161567
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:366159
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:681010