379069

Source:http://linkedlifedata.com/resource/chembl/compound/379069

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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:379069_Adenine_OTHER
chemicalCompound:standardIn...	InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
chemicalCompound:standardIn...	GFFGJBXGBJISGV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ncnc2[nH]cnc12
chemicalCompound:molecularF...	C5H5N5
chemicalCompound:moleculeId	379069
chemicalCompound:mwFreebase	135.127
chemicalCompound:alogp	-0.442
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	80.48
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.86
chemicalCompound:acdLogP	0.023
chemicalCompound:acdLogD	0.02
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	135.127
chemicalCompound:acdMostBpk...	4.45
chemicalCompound:chemblId	CHEMBL226345
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:479069
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ADENINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:16708
chemicalCompound:activity	activity:302381, activity:336402, activity:341665, activity:893577, activity:893578, activity:893579, activity:1409145, activity:1409146, activity:1409147, activity:1409148, activity:1409149, activity:1409150, activity:1409151, activity:1409152, activity:1409153, activity:1409154, activity:1409155, activity:1409156, activity:1409157, activity:1409158, activity:1409159, activity:1877669, activity:1877679, activity:2174322, activity:2658440, activity:2921515, activity:3010378, activity:3010429, activity:3010461, activity:3010477, activity:3010478, activity:3010479, activity:3010499, activity:3084688, activity:3084689, activity:3628052, activity:5186729, activity:5193435, activity:5193439, activity:5193516, activity:5193660, activity:5193667, activity:5193719, activity:5194219, activity:5194382, activity:5317061, activity:5318012, activity:5318963, activity:5328725, activity:5445494, activity:5503138, activity:6325302, activity:6325303, activity:6325304, activity:6325305, activity:6325306, activity:6325307, activity:6325308, activity:6325309, activity:6325310, activity:6325311, activity:6325312, activity:6325313