421394

Source:http://linkedlifedata.com/resource/chembl/compound/421394

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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(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
chemicalCompound:standardIn...	KRZBCHWVBQOTNZ-PSEXTPKNSA-N
chemicalCompound:canonicalS...	O[C@@H]1[C@@H](C[C@](O)(C[C@H]1OC(=O)\C=C\c2ccc(O)c(O)c2)C(=O)O)OC(=O)\C=C\c3ccc(O)c(O)c3
chemicalCompound:molecularF...	C25H24O12
chemicalCompound:moleculeId	421394
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...	3.522
chemicalCompound:acdLogP	2.645
chemicalCompound:acdLogD	-1.032
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	516.451
chemicalCompound:chemblId	CHEMBL249447
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:521394
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:2058536, activity:2063386, activity:2063395, activity:2197196, activity:2197197, activity:2197198, activity:2197199, activity:2197200, activity:2197201, activity:2197202, activity:2197203, activity:2197204, activity:2197205, activity:2197206, activity:2227112, activity:2227113, activity:2227114, activity:2298508, activity:2298509, activity:2298510, activity:2328243, activity:2423405, activity:2423408, activity:2423409, activity:2423411, activity:2423412, activity:2423413, activity:2423414, activity:2423415, activity:2423416, activity:2538029, activity:2538332, activity:2538349, activity:2538366, activity:2538382, activity:3105768, activity:3105790, activity:3105812, activity:3131918, activity:7998584, activity:7998608, activity:8009508, activity:8009513, activity:8009516, activity:8009519, activity:8009522, activity:8009526, activity:8009529, activity:8009532, activity:8009535, activity:8009539, activity:8009540, activity:8009541, activity:8009548, activity:8009551, activity:8009553, activity:8009559