| Predicate | Object |
|---|---|
| rdf:type | |
| chemicalCompound:parent | |
| chemicalCompound:standardIn... |
InChI=1S/C80H86N12O20.C2HF3O2/c81-42-41-59(105-75(96)86-50-29-13-3-14-30-50)72(94)92-58-45-57(83)56(44-60-68(110-78(99)89-53-35-19-6-20-36-53)71(112-80(101)91-55-39-23-8-24-40-55)69(61(46-82)103-60)111-79(100)90-54-37-21-7-22-38-54)65(108-76(97)87-51-31-15-4-16-32-51)66(58)107-73-70(106-63(93)43-48-25-9-1-10-26-48)64(84)67(109-77(98)88-52-33-17-5-18-34-52)62(104-73)47-102-74(95)85-49-27-11-2-12-28-49;3-2(4,5)1(6)7/h1-40,56-62,64-71,73H,41-47,81-84H2,(H,85,95)(H,86,96)(H,87,97)(H,88,98)(H,89,99)(H,90,100)(H,91,101)(H,92,94);(H,6,7)/t56-,57+,58-,59+,60-,61-,62-,64+,65+,66+,67-,68+,69-,70-,71-,73-;/m1./s1
|
| chemicalCompound:standardIn... |
VQPYCHVXLHPEFX-BRLCEBCGSA-N
|
| chemicalCompound:canonicalS... |
NCC[C@H](OC(=O)Nc1ccccc1)C(=O)N[C@@H]2C[C@H](N)[C@@H](C[C@H]3O[C@H](CN)[C@@H](OC(=O)Nc4ccccc4)[C@H](OC(=O)Nc5ccccc5)[C@H]3OC(=O)Nc6ccccc6)[C@H](OC(=O)Nc7ccccc7)[C@H]2O[C@H]8O[C@H](COC(=O)Nc9ccccc9)[C@@H](OC(=O)Nc%10ccccc%10)[C@H](N)[C@H]8OC(=O)Cc%11ccccc%11.OC(=O)C(F)(F)F
|
| chemicalCompound:molecularF... |
C82H87F3N12O22
|
| chemicalCompound:moleculeId |
626598
|
| chemicalCompound:mwFreebase |
1535.61
|
| chemicalCompound:fullMwt |
1649.63
|
| chemicalCompound:chemblId |
CHEMBL1094343
|
| 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 |