Binder Information
Binder General Information | Top | |||
---|---|---|---|---|
Binder ID |
BTP1N3
|
|||
Binder Name |
[(1S,2S,5S,6S,7R,9S,10S,18R)-5-Acetyloxy-6-[(2,4-dimethoxyphenyl)methylcarbamoyl]-18-hydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-9-yl] 4-cyanobenzoate
|
|||
Synonyms |
CHEMBL2375602; BDBM50433207
Click to Show/Hide
|
|||
Binder Type |
Small molecular drug
|
|||
Structure |
Download2D MOL
|
|||
Formula |
C44H45N3O11
|
|||
Canonical SMILES |
CC(=O)O[C@H]1CC[C@]2([C@H]([C@]1(C)C(=O)NCC3=C(C=C(C=C3)OC)OC)C[C@@H]([C@@]4([C@@H]2[C@H](C5=C(O4)C=C(OC5=O)C6=CN=CC=C6)O)C)OC(=O)C7=CC=C(C=C7)C#N)C
|
|||
InChI |
1S/C44H45N3O11/c1-24(48)55-34-15-16-42(2)33(43(34,3)41(52)47-23-28-13-14-29(53-5)18-30(28)54-6)20-35(57-39(50)26-11-9-25(21-45)10-12-26)44(4)38(42)37(49)36-32(58-44)19-31(56-40(36)51)27-8-7-17-46-22-27/h7-14,17-19,22,33-35,37-38,49H,15-16,20,23H2,1-6H3,(H,47,52)/t33-,34+,35+,37+,38-,42+,43+,44-/m1/s1
|
|||
InChIKey |
YBPLVXSCROVJTQ-HIAYPNGJSA-N
|
|||
PubChem Compound ID |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.