129339

Source:http://linkedlifedata.com/resource/chembl/compound/129339

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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/C11H14N6O2/c1-11(2,3)10(18)19-7-17-15-9(14-16-17)8-6-12-4-5-13-8/h4-6H,7H2,1-3H3
chemicalCompound:standardIn...	FATPFAGWNCRHPU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)C(=O)OCn1nnc(n1)c2cnccn2
chemicalCompound:molecularF...	C11 H14 N6 O2
chemicalCompound:moleculeId	129339
chemicalCompound:mwFreebase	262.268
chemicalCompound:alogp	1
chemicalCompound:hba	7
chemicalCompound:hbd	0
chemicalCompound:psa	95.68
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.82
chemicalCompound:acdLogD	1.82
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	262.268
chemicalCompound:chemblId	CHEMBL81312
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:229339
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:113773