550657

Source:http://linkedlifedata.com/resource/chembl/compound/550657

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:38833
chemicalCompound:synonym	synonym:550657_Anaket-V_TRADE_NAME, synonym:550657_CI-581_RESEARCH_CODE, synonym:550657_CL-369_RESEARCH_CODE, synonym:550657_CN-52372-2_RESEARCH_CODE, synonym:550657_Ketalar_TRADE_NAME, synonym:550657_Ketamine Hydrochloride_JAN, synonym:550657_Ketamine Hydrochloride_USAN, synonym:550657_Ketamine Hydrochloride_USP, synonym:550657_Ketamine hydrochloride_FDA_ALTERNATIVE_NAME, synonym:550657_Ketamine hydrochloride_TRADE_NAME, synonym:550657_Ketamine_BAN, synonym:550657_Ketamine_INN, synonym:550657_Ketanest_TRADE_NAME, synonym:550657_Ketavet_TRADE_NAME, synonym:550657_Vetalar_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H
chemicalCompound:standardIn...	VCMGMSHEPQENPE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CNC1(CCCCC1=O)c2ccccc2Cl
chemicalCompound:molecularF...	C13H17Cl2NO
chemicalCompound:moleculeId	550657
chemicalCompound:mwFreebase	237.725
chemicalCompound:alogp	2.88
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	29.1
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.012
chemicalCompound:acdLogD	2.965
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	274.186
chemicalCompound:acdMostBpk...	6.458
chemicalCompound:chemblId	CHEMBL1714
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:650657
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	KETAMINE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:650657
chemicalCompound:activity	activity:556999, activity:557000, activity:557001, activity:557002