56583

Source:http://linkedlifedata.com/resource/chembl/compound/56583

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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/C23H27NO11/c1-9(22(31)24-16-17(28)19(30)21-20(18(16)29)32-8-33-21)5-11-3-4-14(12(26)6-11)34-23-13(27)7-15(35-23)10(2)25/h3-7,13,16-21,23,26-30H,8H2,1-2H3,(H,24,31)/b9-5+/t13-,16+,17-,18+,19+,20-,21+,23+/m0/s1
chemicalCompound:standardIn...	YMZSNOTVZLYXKZ-OFJOVXCMSA-N
chemicalCompound:canonicalS...	CC(=O)C1=C[C@H](O)[C@H](Oc2ccc(\C=C(/C)\C(=O)N[C@@H]3[C@H](O)[C@@H](O)[C@H]4OCO[C@H]4[C@@H]3O)cc2O)O1
chemicalCompound:molecularF...	C23 H27 N O11
chemicalCompound:moleculeId	56583
chemicalCompound:mwFreebase	493.461
chemicalCompound:alogp	-0.936
chemicalCompound:hba	11
chemicalCompound:hbd	6
chemicalCompound:psa	184.23
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.745
chemicalCompound:acdLogP	-1.165
chemicalCompound:acdLogD	-1.186
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	493.461
chemicalCompound:chemblId	CHEMBL38605
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:156583
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:918985