461596

Source:http://linkedlifedata.com/resource/chembl/compound/461596

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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/C25H26O7/c1-12(2)5-7-15-22(29)16(10-19(27)13(3)4)23(30)21-24(31)17(11-32-25(15)21)14-6-8-18(26)20(28)9-14/h5-6,8-9,11,19,26-30H,3,7,10H2,1-2,4H3
chemicalCompound:standardIn...	FSQKKJIBNQATIX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=CCc1c(O)c(CC(O)C(=C)C)c(O)c2C(=O)C(=COc12)c3ccc(O)c(O)c3)C
chemicalCompound:molecularF...	C25H26O7
chemicalCompound:moleculeId	461596
chemicalCompound:mwFreebase	438.47
chemicalCompound:alogp	4.563
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	127.45
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.534
chemicalCompound:acdLogP	3.954
chemicalCompound:acdLogD	2.968
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	438.47
chemicalCompound:chemblId	CHEMBL522471
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:561596
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:2548979