346246

Source:http://linkedlifedata.com/resource/chembl/compound/346246

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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/C24H25NO8/c1-14(33-24(28)16-10-18(29-2)22(31-4)19(11-16)30-3)21-17(25-23(21)27)12-20(26)32-13-15-8-6-5-7-9-15/h5-12,14,21H,13H2,1-4H3,(H,25,27)/b17-12-/t14-,21-/m1/s1
chemicalCompound:standardIn...	LXKPHFXRDWTHNO-AAAVNFPLSA-N
chemicalCompound:canonicalS...	COc1cc(cc(OC)c1OC)C(=O)O[C@H](C)[C@H]2C(=O)N/C/2=C\C(=O)OCc3ccccc3
chemicalCompound:molecularF...	C24 H25 N O8
chemicalCompound:moleculeId	346246
chemicalCompound:mwFreebase	455.457
chemicalCompound:alogp	2.655
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	109.39
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.849
chemicalCompound:acdLogP	4.722
chemicalCompound:acdLogD	4.722
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	455.457
chemicalCompound:chemblId	CHEMBL207177
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:446246
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:1712940, activity:1712941, activity:1712996, activity:1712997, activity:1713052, activity:1713053, activity:1713108, activity:1713109, activity:1713166, activity:1713167, activity:1713222, activity:1713223, activity:1713276, activity:1713277