1049873

Source:http://linkedlifedata.com/resource/chembl/compound/1049873

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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:17592
chemicalCompound:standardIn...	InChI=1S/C23H24ClNO4.Mg/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18;/h1-9,14,27H,10-13,15-16H2,(H,28,29);/q;+2/p-2/b21-14-;
chemicalCompound:standardIn...	IXQDLFAKYBOBPF-UXTSPRGOSA-L
chemicalCompound:canonicalS...	[Mg+2].[O-]C(=O)C(=O)\C=C(/[O-])\C1(Cc2ccc(Cl)cc2)CCN(Cc3ccccc3)CC1
chemicalCompound:molecularF...	C23H22ClMgNO4
chemicalCompound:moleculeId	1049873
chemicalCompound:mwFreebase	413.894
chemicalCompound:alogp	1.346
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	77.84
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.78
chemicalCompound:acdLogP	3.051
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	436.183
chemicalCompound:acdMostBpk...	9.074
chemicalCompound:chemblId	CHEMBL1626982
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1149873
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:207671