1122956

Source:http://linkedlifedata.com/resource/chembl/compound/1122956

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:5981
chemicalCompound:standardIn...	InChI=1S/C29H35NO3.C4H6O6/c1-30-15-14-29-21-17-28(13-7-6-10-19-8-4-3-5-9-19)18-32-26(28)27(29)33-25-23(31-2)12-11-20(24(25)29)16-22(21)30;5-1(3(7)8)2(6)4(9)10/h3-5,8-9,11-12,21-22,26-27H,6-7,10,13-18H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t21?,22?,26-,27?,28-,29?;1-,2-/m10/s1
chemicalCompound:standardIn...	UKVHGCNSJAFSJI-KIKXEWHQSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3C4C[C@]5(CCCCc6ccccc6)CO[C@@H]5C7Oc1c2C47CCN3C.O[C@@H]([C@H](O)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C33H41NO9
chemicalCompound:moleculeId	1122956
chemicalCompound:mwFreebase	445.593
chemicalCompound:alogp	5.073
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	30.93
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.858
chemicalCompound:acdLogD	2.59
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	595.68
chemicalCompound:acdMostBpk...	8.65
chemicalCompound:chemblId	CHEMBL1744385
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222956
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:577552