56267

Source:http://linkedlifedata.com/resource/chembl/compound/56267

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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/C29H33NO11S/c1-13(28(37)30-19-20(33)22(35)26-25(21(19)34)38-12-39-26)10-15-8-9-18(17(32)11-15)40-29-23(36)27(24(41-29)14(2)31)42-16-6-4-3-5-7-16/h3-11,19-27,29,32-36H,12H2,1-2H3,(H,30,37)/b13-10+/t19-,20+,21-,22-,23+,24?,25+,26-,27?,29-/m1/s1
chemicalCompound:standardIn...	XDXKOCFBRYPZCM-NELFPVHASA-N
chemicalCompound:canonicalS...	CC(=O)C1O[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)[C@@H](O)C1Sc5ccccc5
chemicalCompound:molecularF...	C29 H33 N O11 S
chemicalCompound:moleculeId	56267
chemicalCompound:mwFreebase	603.637
chemicalCompound:alogp	0.918
chemicalCompound:hba	12
chemicalCompound:hbd	6
chemicalCompound:psa	209.53
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.832
chemicalCompound:acdLogP	2.279
chemicalCompound:acdLogD	2.262
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	603.637
chemicalCompound:chemblId	CHEMBL287827
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:156267
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:912445