920850

Source:http://linkedlifedata.com/resource/chembl/compound/920850

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C22H25NO8/c1-10(2)29-21(27)12-7-13(22(28)30-11(3)4)9-14(8-12)23-19(24)17-15-5-6-16(31-15)18(17)20(25)26/h5-11,15-18H,1-4H3,(H,23,24)(H,25,26)
chemicalCompound:standardIn...	GZECYWSMZIKHJK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)OC(=O)c1cc(NC(=O)C2C3OC(C=C3)C2C(=O)O)cc(c1)C(=O)OC(C)C
chemicalCompound:molecularF...	C22H25NO8
chemicalCompound:moleculeId	920850
chemicalCompound:mwFreebase	431.436
chemicalCompound:alogp	1.812
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	128.23
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.825
chemicalCompound:acdLogP	4.325
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	431.436
chemicalCompound:chemblId	CHEMBL1496966
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1020850
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:3785194, activity:5352010, activity:5529044, activity:5710254, activity:5791139, activity:6648837