217678

Source:http://linkedlifedata.com/resource/chembl/compound/217678

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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/C31H52N2O10/c1-12-21-31(8)25(32-29(38)43-31)17(4)22(34)15(2)14-30(7,39-11)26(18(5)23(35)19(6)27(37)41-21)42-28-24(36)20(33(9)10)13-16(3)40-28/h15-21,24-26,28,36H,12-14H2,1-11H3,(H,32,38)/t15-,16-,17+,18+,19-,20+,21-,24-,25-,26-,28+,30-,31-/m1/s1
chemicalCompound:standardIn...	RMVAEUQFMIIYFL-UABILYANSA-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]3NC(=O)O[C@]13C)OC
chemicalCompound:molecularF...	C31 H52 N2 O10
chemicalCompound:moleculeId	217678
chemicalCompound:mwFreebase	612.752
chemicalCompound:alogp	2.785
chemicalCompound:hba	11
chemicalCompound:hbd	2
chemicalCompound:psa	149.92
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.855
chemicalCompound:acdLogP	2.279
chemicalCompound:acdLogD	1.547
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	612.752
chemicalCompound:acdMostBpk...	8.133
chemicalCompound:chemblId	CHEMBL339649
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:317678
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:467958, activity:467959, activity:467960, activity:467961, activity:467962, activity:467963, activity:467964, activity:467965, activity:467966, activity:467967, activity:467968