Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BVW9N3
|
|||
| Binder Name |
(4As,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[4-[[(2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-4-oxobutanoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
|||
| Synonyms |
CHEMBL4103601; BDBM50234592
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C49H69F3N2O7
|
|||
| Canonical SMILES |
CC[C@@H]1C[C@@H](C2=C(N1C(=O)OCC)C=CC(=C2)C(F)(F)F)NC(=O)CCC(=O)O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C
|
|||
| InChI |
1S/C49H69F3N2O7/c1-10-30-27-34(31-26-29(49(50,51)52)12-14-35(31)54(30)42(59)60-11-2)53-39(55)16-17-40(56)61-38-19-20-45(7)36(44(38,5)6)18-21-47(9)37(45)15-13-32-33-28-43(3,4)22-24-48(33,41(57)58)25-23-46(32,47)8/h12-14,26,30,33-34,36-38H,10-11,15-25,27-28H2,1-9H3,(H,53,55)(H,57,58)/t30-,33+,34+,36+,37-,38+,45+,46-,47-,48+/m1/s1
|
|||
| InChIKey |
ISNKRSCXFHHTOP-UMMOYSPJSA-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.