Gene Set: D1 - Approved - S A Q U I N A V I R M E S Y L A T E
| Collection |
D1 : Approved |
| Chemical Name |
S A Q U I N A V I R M E S Y L A T E |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Approved | Not | Approved | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 766.946 g/mol |
6 |
14 |
5.4881 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 8 H 5 0 N 6 O 5 . C H 4 O 3 S / c 1 - 3 8 ( 2 , 3 ) 4 3 - 3 7 ( 4 9 ) 3 2 - 2 0 - 2 6 - 1 4 - 7 - 8 - 1 5 - 2 7 ( 2 6 ) 2 2 - 4 4 ( 3 2 ) 2 3 - 3 3 ( 4 5 ) 3 0 ( 1 9 - 2 4 - 1 1 - 5 - 4 - 6 - 1 2 - 2 4 ) 4 1 - 3 6 ( 4 8 ) 3 1 ( 2 1 - 3 4 ( 3 9 ) 4 6 ) 4 2 - 3 5 ( 4 7 ) 2 9 - 1 8 - 1 7 - 2 5 - 1 3 - 9 - 1 0 - 1 6 - 2 8 ( 2 5 ) 4 0 - 2 9 ; 1 - 5 ( 2 , 3 ) 4 / h 4 - 6 , 9 - 1 3 , 1 6 - 1 8 , 2 6 - 2 7 , 3 0 - 3 3 , 4 5 H , 7 - 8 , 1 4 - 1 5 , 1 9 - 2 3 H 2 , 1 - 3 H 3 , ( H 2 , 3 9 , 4 6 ) ( H , 4 1 , 4 8 ) ( H , 4 2 , 4 7 ) ( H , 4 3 , 4 9 ) ; 1 H 3 , ( H , 2 , 3 , 4 ) / t 2 6 ? , 2 7 ? , 3 0 - , 3 1 - , 3 2 - , 3 3 + ; / m 0 . / s 1 |
| InChIKey |
I R H X G O X E B N J U S N - C B H K Z C O C S A - N
|
| Links |
|
Gene
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22)
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12801 East 17th Avenue
Division of Medical Oncology , Department of Medicine
University of Colorado School of Medicine
Aurora, CO 80045, USA
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