466683

Source:http://linkedlifedata.com/resource/chembl/compound/466683

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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/C24H26O7/c1-9(13(5)29-8-25)18-12(4)21(27)20-23-19-16(31-24(20)22(18)28)7-15(26)11(3)17(19)10(2)14(6)30-23/h7-10,13-14,23,26H,1-6H3/t9-,10-,13-,14-,23-/m1/s1
chemicalCompound:standardIn...	DPWQFCNWSJVFTQ-XYSRGHDZSA-N
chemicalCompound:canonicalS...	C[C@H](OC=O)[C@@H](C)C1=C(C)C(=O)C2=C(Oc3cc(O)c(C)c4[C@@H](C)[C@H](C)O[C@@H]2c34)C1=O
chemicalCompound:molecularF...	C24H26O7
chemicalCompound:moleculeId	466683
chemicalCompound:mwFreebase	426.459
chemicalCompound:alogp	3.635
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	99.13
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.073
chemicalCompound:acdLogP	5.46
chemicalCompound:acdLogD	5.451
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.459
chemicalCompound:chemblId	CHEMBL464673
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:566683
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:2212668