495618

Source:http://linkedlifedata.com/resource/chembl/compound/495618

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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(11-12-21-10-5-6-16-26(21,3)4)8-7-9-20(2)15-17-30-25(29)23-18-22(27)13-14-24(23)28/h7-15,18,27-28H,5-6,16-17H2,1-4H3/b9-7+,12-11+,19-8+,20-15+
chemicalCompound:standardIn...	FGSSFHZEZIOVGZ-OGDGMTFFSA-N
chemicalCompound:canonicalS...	C\C(=C/COC(=O)c1cc(O)ccc1O)\C=C\C=C(/C)\C=C\C2=CCCCC2(C)C
chemicalCompound:molecularF...	C26H32O4
chemicalCompound:moleculeId	495618
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...	8.586
chemicalCompound:acdLogP	8.27
chemicalCompound:acdLogD	8.241
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	408.53
chemicalCompound:chemblId	CHEMBL467400
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:595618
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:2618476, activity:2618491, activity:2618503, activity:2618512, activity:2618521, activity:2618533, activity:2618536, activity:2618543, activity:2618550