2256

Source:http://linkedlifedata.com/resource/chembl/compound/2256

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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:2256_BARBITAL_TRADE_NAME, synonym:2256_Barbital_INN
chemicalCompound:standardIn...	InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
chemicalCompound:standardIn...	FTOAOBMCPZCFFF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC1(CC)C(=O)NC(=O)NC1=O
chemicalCompound:molecularF...	C8H12N2O3
chemicalCompound:moleculeId	2256
chemicalCompound:mwFreebase	184.192
chemicalCompound:alogp	0.744
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	75.27
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.92
chemicalCompound:acdLogP	0.804
chemicalCompound:acdLogD	0.69
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	184.192
chemicalCompound:chemblId	CHEMBL444
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102256
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	BARBITAL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:31252
chemicalCompound:activity	activity:293427, activity:958260, activity:958261, activity:958262, activity:958263, activity:958264, activity:1506311, activity:2058678, activity:2385363, activity:3665953, activity:5317120, activity:5318071, activity:5319022, activity:5328758, activity:5513936, activity:6260329