2166

Source:http://linkedlifedata.com/resource/chembl/compound/2166

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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:2166_Thiopental_FDA_ALTERNATIVE_NAME, synonym:2166_Trapanal_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C11H18N2O2S/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...	IUJDSEJGGMCXSG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCC(C)C1(CC)C(=O)NC(=S)NC1=O
chemicalCompound:molecularF...	C11H18N2O2S
chemicalCompound:moleculeId	2166
chemicalCompound:mwFreebase	242.338
chemicalCompound:alogp	2.807
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	90.29
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.112
chemicalCompound:acdLogP	3.049
chemicalCompound:acdLogD	2.588
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	242.338
chemicalCompound:chemblId	CHEMBL441
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102166
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	THIOPENTAL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:102166
chemicalCompound:activity	activity:662214, activity:708800, activity:708801, activity:708802, activity:708803, activity:708804, activity:970970, activity:970971, activity:970972, activity:970973, activity:970974, activity:1504151, activity:2381595, activity:2385409, activity:2672707, activity:2672708, activity:3662607, activity:4497169, activity:5079680, activity:5081101, activity:5081543, activity:5081715, activity:5082742, activity:5329157, activity:5522854, activity:6261115, activity:6262203, activity:6262246, activity:6262289, activity:6262332, activity:6262374, activity:6262417, activity:6263052, activity:6493660, activity:7087915, activity:7548600