443050

Source:http://linkedlifedata.com/resource/chembl/compound/443050

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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/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m0/s1
chemicalCompound:standardIn...	UFCLZKMFXSILNL-ZSGFIFMUSA-N
chemicalCompound:canonicalS...	O[C@H]1C[C@@](O)(C[C@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1OC(=O)\C=C\c3ccc(O)c(O)c3)C(=O)O
chemicalCompound:molecularF...	C25H24O12
chemicalCompound:moleculeId	443050
chemicalCompound:mwFreebase	516.451
chemicalCompound:alogp	1.687
chemicalCompound:hba	12
chemicalCompound:hbd	7
chemicalCompound:psa	211.27
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.688
chemicalCompound:acdLogP	2.135
chemicalCompound:acdLogD	-1.509
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	516.451
chemicalCompound:chemblId	CHEMBL453276
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:543050
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:2549108, activity:2549114