2327

Source:http://linkedlifedata.com/resource/chembl/compound/2327

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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:2327_Mebubarbital_OTHER, synonym:2327_Mebumal_OTHER, synonym:2327_Nembutal_TRADE_NAME, synonym:2327_Pentobarbital Calcium_JAN, synonym:2327_Pentobarbital_BAN, synonym:2327_Pentobarbital_FDA_ALTERNATIVE_NAME, synonym:2327_Pentobarbital_INN, synonym:2327_Pentobarbital_USAN, synonym:2327_Pentobarbital_USP
chemicalCompound:standardIn...	InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
chemicalCompound:standardIn...	WEXRUCMBJFQVBZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCC(C)C1(CC)C(=O)NC(=O)NC1=O
chemicalCompound:molecularF...	C11H18N2O3
chemicalCompound:moleculeId	2327
chemicalCompound:mwFreebase	226.272
chemicalCompound:alogp	1.908
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	75.27
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.93
chemicalCompound:acdLogP	2.176
chemicalCompound:acdLogD	2.065
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	226.272
chemicalCompound:chemblId	CHEMBL448
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102327
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PENTOBARBITAL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:7983
chemicalCompound:activity	activity:351038, activity:351039, activity:511963, activity:511964, activity:511965, activity:511966, activity:511967, activity:511968, activity:756788, activity:756789, activity:756790, activity:756791, activity:756792, activity:756793, activity:956955, activity:956956, activity:956957, activity:956958, activity:956959, activity:965824, activity:965825, activity:965826, activity:965827, activity:965828, activity:965829, activity:1171636, activity:1171637, activity:1171638, activity:1300317, activity:1449648, activity:1501372, activity:1501373, activity:1504142, activity:2385407, activity:2582884, activity:3216074, activity:3216165, activity:3217392, activity:3734591, activity:4184023, activity:5010302, activity:5078716, activity:5080251, activity:5080325, activity:5080813, activity:5083384, activity:5083530, activity:5218959, activity:5317708, activity:5318659, activity:5319610, activity:5329066, activity:7091159, activity:7840552, activity:7840553, activity:7840554