| Predicate | Object |
|---|---|
| rdf:type | |
| chemicalCompound:parent | |
| chemicalCompound:standardIn... |
InChI=1S/C72H81N13O20.C2HF3O2/c73-37-49-56(101-68(88)81-42-26-12-3-13-27-42)59(103-70(90)83-44-30-16-5-17-31-44)52(77)63(94-49)97-54-47(75)36-48(76)55(100-67(87)80-41-24-10-2-11-25-41)61(54)99-65-62(105-72(92)85-46-34-20-7-21-35-46)58(51(96-65)39-93-66(86)79-40-22-8-1-9-23-40)98-64-53(78)60(104-71(91)84-45-32-18-6-19-33-45)57(50(38-74)95-64)102-69(89)82-43-28-14-4-15-29-43;3-2(4,5)1(6)7/h1-35,47-65H,36-39,73-78H2,(H,79,86)(H,80,87)(H,81,88)(H,82,89)(H,83,90)(H,84,91)(H,85,92);(H,6,7)/t47-,48+,49+,50-,51+,52+,53+,54+,55-,56+,57+,58+,59+,60+,61-,62+,63+,64+,65-;/m0./s1
|
| chemicalCompound:standardIn... |
IUYCWLJEOSXKBX-XFGUKRESSA-N
|
| chemicalCompound:canonicalS... |
NC[C@@H]1O[C@H](O[C@@H]2[C@@H](COC(=O)Nc3ccccc3)O[C@@H](O[C@H]4[C@H](O[C@H]5O[C@H](CN)[C@@H](OC(=O)Nc6ccccc6)[C@H](OC(=O)Nc7ccccc7)[C@H]5N)[C@@H](N)C[C@@H](N)[C@@H]4OC(=O)Nc8ccccc8)[C@@H]2OC(=O)Nc9ccccc9)[C@H](N)[C@@H](OC(=O)Nc%10ccccc%10)[C@@H]1OC(=O)Nc%11ccccc%11.OC(=O)C(F)(F)F
|
| chemicalCompound:molecularF... |
C74H82F3N13O22
|
| chemicalCompound:moleculeId |
626591
|
| chemicalCompound:mwFreebase |
1448.49
|
| chemicalCompound:fullMwt |
1562.51
|
| chemicalCompound:chemblId |
CHEMBL1094336
|
| 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 |