2524

Source:http://linkedlifedata.com/resource/chembl/compound/2524

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:2524_Alisobumal_OTHER, synonym:2524_Allylbarbituric Acid_OTHER, synonym:2524_Butalbital_FDA_ALTERNATIVE_NAME, synonym:2524_Butalbital_INN, synonym:2524_Butalbital_USAN, synonym:2524_Butalbital_USP, synonym:2524_Itobarbital_OTHER, synonym:2524_Tetrallobarbital_OTHER
chemicalCompound:standardIn...	InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
chemicalCompound:standardIn...	UZVHFVZFNXBMQJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O
chemicalCompound:molecularF...	C11 H16 N2 O3
chemicalCompound:moleculeId	2524
chemicalCompound:mwFreebase	224.256
chemicalCompound:alogp	1.518
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	75.27
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.775
chemicalCompound:acdLogP	1.79
chemicalCompound:acdLogD	1.64
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	224.256
chemicalCompound:chemblId	CHEMBL454
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102524
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	BUTALBITAL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:102524
chemicalCompound:firstAppro...	1983
chemicalCompound:activity	activity:980858, activity:980859, activity:980860, activity:980861, activity:980862, activity:5317157, activity:5318108, activity:5319059, activity:5328785