2393

Source:http://linkedlifedata.com/resource/chembl/compound/2393

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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:2393_Butabarb_TRADE_NAME, synonym:2393_Butabarbital_FDA_ALTERNATIVE_NAME, synonym:2393_Butabarbital_USAN, synonym:2393_Butabarbital_USP, synonym:2393_Butalan_TRADE_NAME, synonym:2393_Buticaps_TRADE_NAME, synonym:2393_Butisol_TRADE_NAME, synonym:2393_Sarisol_TRADE_NAME, synonym:2393_Secbutabarbital_BAN, synonym:2393_Secbutabarbital_INN, synonym:2393_Secbutobarbitone_OTHER
chemicalCompound:standardIn...	InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
chemicalCompound:standardIn...	ZRIHAIZYIMGOAB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(C)C1(CC)C(=O)NC(=O)NC1=O
chemicalCompound:molecularF...	C10 H16 N2 O3
chemicalCompound:moleculeId	2393
chemicalCompound:mwFreebase	212.246
chemicalCompound:alogp	1.452
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	75.27
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.93
chemicalCompound:acdLogP	1.667
chemicalCompound:acdLogD	1.556
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	212.246
chemicalCompound:chemblId	CHEMBL449
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102393
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	BUTABARBITAL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:3228
chemicalCompound:activity	activity:954309, activity:954310, activity:954311, activity:954312, activity:954313