522655

Source:http://linkedlifedata.com/resource/chembl/compound/522655

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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/C45H59N5O9/c1-8-10-11-12-15-57-25(7)38-23(5)31-17-30-22(4)27(13-14-37(53)50-59-45-44(56)43(55)42(54)36(20-51)58-45)40(48-30)28-16-35(52)39-24(6)32(49-41(28)39)18-33-26(9-2)21(3)29(46-33)19-34(38)47-31/h17-19,22,25,27,36,42-45,47,49,51,54-56H,8-16,20H2,1-7H3,(H,50,53)/b29-19-,30-17-,31-17-,32-18-,33-18-,34-19-,40-28-/t22-,25?,27-,36+,42-,43-,44+,45-/m0/s1
chemicalCompound:standardIn...	IGZIOBRPPALGCE-IARBDCIRSA-N
chemicalCompound:canonicalS...	CCCCCCOC(C)C1=C(C)c2cc3nc([C@H](CCC(=O)NO[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)[C@@H]3C)c5CC(=O)c6c(C)c(cc7nc(cc1[nH]2)c(C)c7CC)[nH]c56
chemicalCompound:molecularF...	C45H59N5O9
chemicalCompound:moleculeId	522655
chemicalCompound:mwFreebase	813.978
chemicalCompound:alogp	6.948
chemicalCompound:hba	11
chemicalCompound:hbd	7
chemicalCompound:psa	212.13
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	4
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.041
chemicalCompound:fullMwt	813.978
chemicalCompound:chemblId	CHEMBL449715
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:622655
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:2298291, activity:2298292, activity:2298293, activity:2298294, activity:2298300, activity:2298301, activity:2298303, activity:2298304, activity:2298307, activity:2298310, activity:2298312, activity:2298313