Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C44H55NO17/c1-21-27(59-38(52)32(49)31(26-15-12-16-56-26)45-39(53)62-40(4,5)6)19-44(54)36(60-37(51)24-13-11-14-25(17-24)55-10)34-42(9,28(48)18-29-43(34,20-57-29)61-23(3)47)35(50)33(58-22(2)46)30(21)41(44,7)8/h11-17,27-29,31-34,36,48-49,54H,18-20H2,1-10H3,(H,45,53)/t27-,28-,29+,31-,32+,33+,34-,36-,42+,43-,44+/m0/s1
chemicalCompound:standardIn...
MWSYKNKNMMTOJD-BGKJQISDSA-N
chemicalCompound:canonicalS...
COc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6occc6)OC(=O)C
chemicalCompound:molecularF...
C44H55NO17
chemicalCompound:moleculeId
1287033
chemicalCompound:mwFreebase
869.904
chemicalCompound:alogp
2.237
chemicalCompound:hba
16
chemicalCompound:hbd
4
chemicalCompound:psa
252.89
chemicalCompound:rtb
16
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
2
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
10.983
chemicalCompound:acdLogP
3.057
chemicalCompound:acdLogD
3.057
chemicalCompound:molecularS...
chemicalCompound:fullMwt
869.904
chemicalCompound:chemblId
CHEMBL1965742
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
chemicalCompound:chebi
chemicalCompound:moleculeTy...
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity
activity:8227306, activity:8278908, activity:8348329, activity:8363545, activity:8378105, activity:8464438, activity:8488505, activity:8553623, activity:8569240, activity:8650032, activity:8705590, activity:8745831, activity:8752588, activity:8838765, activity:8849955, activity:8880944, activity:8901495, activity:8948873, activity:9049215, activity:9052671, activity:9145675, activity:9147848, activity:9165733, activity:9265521, activity:9280754, activity:9338321, activity:9341755, activity:9414982, activity:9487017, activity:9498152, activity:9571465, activity:9670507, activity:9754162, activity:9760266, activity:9774720, activity:9840758, activity:9869760, activity:9941353, activity:9973848, activity:10011371, activity:10022712, activity:10059257, activity:10150200, activity:10195073, activity:10227663, activity:10259176, activity:10304315, activity:10346498, activity:10421061, activity:10457631, activity:10471900, activity:10573860, activity:10649883, activity:10668900, activity:10678069, activity:10698295, activity:10771326