217729

Source:http://linkedlifedata.com/resource/chembl/compound/217729

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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/C40H62N2O11/c1-12-30-40(8)34(42(38(47)53-40)18-19-49-22-28-16-14-13-15-17-28)25(4)31(43)23(2)21-39(7,48-11)35(26(5)32(44)27(6)36(46)51-30)52-37-33(45)29(41(9)10)20-24(3)50-37/h13-17,23-27,29-30,33-35,37,45H,12,18-22H2,1-11H3/t23-,24-,25+,26+,27-,29+,30-,33-,34-,35-,37+,39-,40-/m1/s1
chemicalCompound:standardIn...	DFFGOVVZFVRAKX-RITUOVHYSA-N
chemicalCompound:canonicalS...	CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]3N(CCOCc4ccccc4)C(=O)O[C@]13C)OC
chemicalCompound:molecularF...	C40 H62 N2 O11
chemicalCompound:moleculeId	217729
chemicalCompound:mwFreebase	746.927
chemicalCompound:alogp	4.444
chemicalCompound:hba	12
chemicalCompound:hbd	1
chemicalCompound:psa	150.36
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.848
chemicalCompound:acdLogP	5.726
chemicalCompound:acdLogD	4.994
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	746.927
chemicalCompound:acdMostBpk...	8.133
chemicalCompound:chemblId	CHEMBL133627
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:317729
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:465286, activity:465287, activity:465288, activity:465289, activity:465290, activity:465291, activity:465292, activity:465293, activity:465294, activity:465295, activity:465296