21399

Source:http://linkedlifedata.com/resource/chembl/compound/21399

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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/C35H40O17/c1-6-42-27(36)16-47-22-14-25(50-19-30(39)45-9-4)32-26(15-22)52-34(35(33(32)41)51-20-31(40)46-10-5)21-11-12-23(48-17-28(37)43-7-2)24(13-21)49-18-29(38)44-8-3/h11-15H,6-10,16-20H2,1-5H3
chemicalCompound:standardIn...	RRAZFIFDUUJXOO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)COC1=C(Oc2cc(OCC(=O)OCC)cc(OCC(=O)OCC)c2C1=O)c3ccc(OCC(=O)OCC)c(OCC(=O)OCC)c3
chemicalCompound:molecularF...	C35 H40 O17
chemicalCompound:moleculeId	21399
chemicalCompound:mwFreebase	732.682
chemicalCompound:alogp	3.038
chemicalCompound:hba	17
chemicalCompound:hbd	0
chemicalCompound:psa	203.94
chemicalCompound:rtb	26
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.685
chemicalCompound:acdLogD	4.685
chemicalCompound:fullMwt	732.682
chemicalCompound:chemblId	CHEMBL273329
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:121399
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:557025, activity:557026, activity:557027, activity:557028