2216

Source:http://linkedlifedata.com/resource/chembl/compound/2216

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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:2216_Brevital_TRADE_NAME, synonym:2216_Methohexital_OTHER
chemicalCompound:standardIn...	InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)
chemicalCompound:standardIn...	NZXKDOXHBHYTKP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O
chemicalCompound:molecularF...	C14 H18 N2 O3
chemicalCompound:moleculeId	2216
chemicalCompound:mwFreebase	262.304
chemicalCompound:alogp	2.314
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	66.48
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.821
chemicalCompound:acdLogP	2.013
chemicalCompound:acdLogD	1.875
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	262.304
chemicalCompound:chemblId	CHEMBL7413
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102216
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	METHOHEXITAL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:102216
chemicalCompound:activity	activity:949048, activity:949049, activity:949050, activity:949051, activity:949052, activity:5080089, activity:5081012, activity:5081260, activity:5081323, activity:5083042, activity:5328028, activity:5328029, activity:5328030, activity:5328031, activity:5328032, activity:5328033, activity:5328034, activity:5328035, activity:5328036, activity:5328037, activity:5328038, activity:5328039, activity:5328040, activity:5328041, activity:5328042, activity:5328043, activity:5328044, activity:5328045, activity:7835826, activity:7835827, activity:7835828, activity:7835829, activity:7835830, activity:7835831, activity:7835832, activity:7835833, activity:7835834, activity:7835835, activity:7835836, activity:7835837, activity:7835838, activity:7835839