403904

Source:http://linkedlifedata.com/resource/chembl/compound/403904

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:403904_GNF-PF-1671_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C5H6N6/c6-11-5-3-4(8-1-7-3)9-2-10-5/h1-2H,6H2,(H2,7,8,9,10,11)
chemicalCompound:standardIn...	IUEISQYNCXVHTJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NNc1ncnc2[nH]cnc12
chemicalCompound:molecularF...	C5H6N6
chemicalCompound:moleculeId	403904
chemicalCompound:mwFreebase	150.141
chemicalCompound:alogp	-0.42
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	92.51
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.876
chemicalCompound:acdLogP	0.946
chemicalCompound:acdLogD	0.945
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	150.141
chemicalCompound:acdMostBpk...	3.708
chemicalCompound:chemblId	CHEMBL394752
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:503904
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:264725, activity:1973802, activity:1973821, activity:1973848, activity:1973875, activity:1973900, activity:1973927, activity:1973946, activity:3010364, activity:3010451, activity:3010470, activity:3025731, activity:3029504, activity:3031529, activity:3033256