453652

Source:http://linkedlifedata.com/resource/chembl/compound/453652

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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:453652_Chloral Hydrate_INN, synonym:453652_Escre_TRADE_NAME, synonym:453652_Notec_TRADE_NAME, synonym:453652_Somnos_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H
chemicalCompound:standardIn...	RNFNDJAIBTYOQL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(O)C(Cl)(Cl)Cl
chemicalCompound:molecularF...	C2H3Cl3O2
chemicalCompound:moleculeId	453652
chemicalCompound:mwFreebase	165.403
chemicalCompound:alogp	0.899
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	40.46
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.541
chemicalCompound:acdLogP	0.988
chemicalCompound:acdLogD	0.987
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	165.403
chemicalCompound:chemblId	CHEMBL455917
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:553652
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CHLORAL HYDRATE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:28142
chemicalCompound:activity	activity:2588957, activity:3663235, activity:5317201, activity:5318152, activity:5319103, activity:6533136, activity:9338303