| Predicate | Object |
|---|---|
| rdf:type | |
| chemicalCompound:standardIn... |
InChI=1S/C54H77IN12O25/c1-18(20-5-3-2-4-6-20)31-47(85)61-22(10-19-7-8-26(21(55)9-19)89-51-43(82)40(79)44(29(17-71)91-51)92-52-42(81)39(78)37(76)28(16-70)90-52)46(84)65-32(34(73)23-11-59-53(56)63-23)49(87)66-33(48(86)62-24(14-68)45(83)58-13-30(72)64-31)35(74)25-12-60-54(57)67(25)50-41(80)38(77)36(75)27(15-69)88-50/h2-9,18,22-25,27-29,31-44,50-52,68-71,73-82H,10-17H2,1H3,(H2,57,60)(H,58,83)(H,61,85)(H,62,86)(H,64,72)(H,65,84)(H,66,87)(H3,56,59,63)/t18-,22+,23-,24-,25-,27+,28+,29+,31-,32-,33+,34-,35-,36+,37+,38-,39-,40+,41-,42-,43-,44+,50-,51-,52+/m0/s1
|
| chemicalCompound:standardIn... |
UTTFBQPLODYNBD-OWSUBELASA-N
|
| chemicalCompound:canonicalS... |
C[C@H]([C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccc(O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)c(I)c2)NC1=O)[C@@H](O)[C@@H]5CN=C(N)N5)[C@@H](O)[C@@H]6CN=C(N)N6[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O)c8ccccc8
|
| chemicalCompound:molecularF... |
C54 H77 I N12 O25
|
| chemicalCompound:moleculeId |
155041
|
| chemicalCompound:mwFreebase |
1421.16
|
| chemicalCompound:fullMwt |
1421.16
|
| chemicalCompound:chemblId |
CHEMBL414025
|
| 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 |