211922

Source:http://linkedlifedata.com/resource/chembl/compound/211922

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:654478
chemicalCompound:standardIn...	InChI=1S/C8H12N4.C2H2O4/c1-2-8(11-10-3-1)12-6-4-9-5-7-12;3-1(4)2(5)6/h1-3,9H,4-7H2;(H,3,4)(H,5,6)
chemicalCompound:standardIn...	UDLYJBHEMSSEKY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)C(=O)O.C1CN(CCN1)c2cccnn2
chemicalCompound:molecularF...	C8 H12 N4 . C2 H2 O4
chemicalCompound:moleculeId	211922
chemicalCompound:mwFreebase	164.208
chemicalCompound:alogp	-0.286
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	41.05
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.696
chemicalCompound:acdLogD	-1.666
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	254.243
chemicalCompound:acdMostBpk...	8.603
chemicalCompound:chemblId	CHEMBL129266
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:311922
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:420491, activity:420492