56919

Source:http://linkedlifedata.com/resource/chembl/compound/56919

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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/C20H23NO8/c1-3-6-27-13-5-4-11(8-12(13)22)7-10(2)20(26)21-14-15(23)17(25)19-18(16(14)24)28-9-29-19/h1,4-5,7-8,14-19,22-25H,6,9H2,2H3,(H,21,26)/b10-7+/t14-,15+,16-,17-,18+,19-/m1/s1
chemicalCompound:standardIn...	IKLJWZZDQYWRSU-ZKVKIDQDSA-N
chemicalCompound:canonicalS...	C\C(=C/c1ccc(OCC#C)c(O)c1)\C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O
chemicalCompound:molecularF...	C20 H23 N O8
chemicalCompound:moleculeId	56919
chemicalCompound:mwFreebase	405.398
chemicalCompound:alogp	0.797
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	137.71
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.834
chemicalCompound:acdLogP	0.393
chemicalCompound:acdLogD	0.377
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	405.398
chemicalCompound:chemblId	CHEMBL36811
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:156919
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:927989