674438

Source:http://linkedlifedata.com/resource/chembl/compound/674438

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:2654
chemicalCompound:synonym	synonym:674438_Ethacrynate Sodium_USAN
chemicalCompound:standardIn...	InChI=1S/C13H12Cl2O4.Na/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);/q;+1/p-1
chemicalCompound:standardIn...	CWCSCNSKBSCYCS-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Na+].CCC(=C)C(=O)c1ccc(OCC(=O)[O-])c(Cl)c1Cl
chemicalCompound:molecularF...	C13H11Cl2NaO4
chemicalCompound:moleculeId	674438
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	325.12
chemicalCompound:chemblId	CHEMBL1200487
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774438
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	ETHACRYNATE SODIUM