495621

Source:http://linkedlifedata.com/resource/chembl/compound/495621

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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/C26H32O4/c1-19(14-15-21-11-5-6-17-26(21,3)4)9-7-10-20(2)16-18-30-25(29)24-22(27)12-8-13-23(24)28/h7-16,27-28H,5-6,17-18H2,1-4H3/b10-7+,15-14+,19-9+,20-16+
chemicalCompound:standardIn...	YHRULDMRTRRDEW-KLCFJSLKSA-N
chemicalCompound:canonicalS...	C\C(=C/COC(=O)c1c(O)cccc1O)\C=C\C=C(/C)\C=C\C2=CCCCC2(C)C
chemicalCompound:molecularF...	C26H32O4
chemicalCompound:moleculeId	495621
chemicalCompound:mwFreebase	408.53
chemicalCompound:alogp	6.429
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	66.76
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.355
chemicalCompound:acdLogP	9.323
chemicalCompound:acdLogD	8.991
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	408.53
chemicalCompound:chemblId	CHEMBL513502
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:595621
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:2618478, activity:2618494, activity:2618506, activity:2618517, activity:2618526, activity:2618537, activity:2618544, activity:2618551, activity:2618580