369458

Source:http://linkedlifedata.com/resource/chembl/compound/369458

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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/C33H36O6/c1-34-29-21-31(39-23-26-14-9-6-10-15-26)33(37-4)32(36-3)27(29)17-11-16-24-18-19-28(30(20-24)35-2)38-22-25-12-7-5-8-13-25/h5-10,12-15,18-21H,11,16-17,22-23H2,1-4H3
chemicalCompound:standardIn...	CRPSLUJSOCQBTP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(CCCc2c(OC)cc(OCc3ccccc3)c(OC)c2OC)ccc1OCc4ccccc4
chemicalCompound:molecularF...	C33 H36 O6
chemicalCompound:moleculeId	369458
chemicalCompound:mwFreebase	528.635
chemicalCompound:alogp	7.785
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	55.38
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.13
chemicalCompound:acdLogD	6.13
chemicalCompound:fullMwt	528.635
chemicalCompound:chemblId	CHEMBL220782
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:469458
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:1813890, activity:1813891, activity:1813892, activity:1813893, activity:1813914, activity:1813915, activity:1813916, activity:1813917, activity:1813918, activity:1813929, activity:1813930, activity:1813931, activity:1813932, activity:1813933, activity:1813935, activity:1813939, activity:1813947, activity:1813950