2654

Source:http://linkedlifedata.com/resource/chembl/compound/2654

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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:2654_Edecrin_TRADE_NAME, synonym:2654_Etacrynic Acid_INN, synonym:2654_Etacrynic Acid_JAN, synonym:2654_Ethacrynic Acid_BAN, synonym:2654_Ethacrynic Acid_USAN, synonym:2654_Ethacrynic Acid_USP, synonym:2654_Ethacrynic acid_FDA_ALTERNATIVE_NAME, synonym:2654_MK-595_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
chemicalCompound:standardIn...	AVOLMBLBETYQHX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl
chemicalCompound:molecularF...	C13H12Cl2O4
chemicalCompound:moleculeId	2654
chemicalCompound:mwFreebase	303.138
chemicalCompound:alogp	3.963
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.6
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.812
chemicalCompound:acdLogP	2.84
chemicalCompound:acdLogD	-0.851
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	303.138
chemicalCompound:chemblId	CHEMBL456
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102654
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ETHACRYNIC ACID
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:4876
chemicalCompound:activity	activity:291866, activity:399488, activity:399489, activity:399490, activity:399491, activity:399492, activity:399493, activity:399494, activity:399495, activity:402418, activity:402419, activity:402420, activity:480986, activity:710001, activity:710002, activity:710003, activity:710004, activity:710005, activity:716460, activity:746017, activity:746018, activity:746019, activity:766369, activity:766370, activity:766371, activity:766372, activity:766373, activity:766374, activity:766375, activity:766376, activity:802979, activity:802980, activity:802981, activity:892411, activity:892412, activity:892413, activity:892414, activity:892415, activity:1744868, activity:1744869, activity:1744870, activity:1809335, activity:1809337, activity:1809349, activity:1809356, activity:1809363, activity:1941192, activity:1941193, activity:2058651, activity:2492410, activity:2492452, activity:2932779, activity:2932781, activity:2937883, activity:2937907, activity:3187980, activity:3187987