55985

Source:http://linkedlifedata.com/resource/chembl/compound/55985

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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/C22H29NO9/c1-11(8-13-5-6-15(14(25)9-13)30-7-3-4-12(2)24)22(29)23-16-17(26)19(28)21-20(18(16)27)31-10-32-21/h5-6,8-9,16-21,25-28H,3-4,7,10H2,1-2H3,(H,23,29)/b11-8+/t16-,17+,18-,19-,20+,21-/m1/s1
chemicalCompound:standardIn...	RTKPKBFUJXAYDH-ZWAWJJHXSA-N
chemicalCompound:canonicalS...	CC(=O)CCCOc1ccc(\C=C(/C)\C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O)cc1O
chemicalCompound:molecularF...	C22 H29 N O9
chemicalCompound:moleculeId	55985
chemicalCompound:mwFreebase	451.467
chemicalCompound:alogp	-0.244
chemicalCompound:hba	9
chemicalCompound:hbd	5
chemicalCompound:psa	154.78
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.111
chemicalCompound:acdLogP	0.211
chemicalCompound:acdLogD	0.202
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	451.467
chemicalCompound:chemblId	CHEMBL38770
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:155985
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:917669