Gene Set: D4 : CTD - Lopinavir
| Collection |
D4 : CTD |
| Chemical Name |
Lopinavir ( From PubChem : L O P I N A V I R ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Approved | Not | Approved | Approved | Not | Approved | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 628.801 g/mol |
4 |
9 |
5.3766 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 7 H 4 8 N 4 O 5 / c 1 - 2 5 ( 2 ) 3 4 ( 4 1 - 2 0 - 1 2 - 1 9 - 3 8 - 3 7 ( 4 1 ) 4 5 ) 3 6 ( 4 4 ) 3 9 - 3 0 ( 2 1 - 2 8 - 1 5 - 7 - 5 - 8 - 1 6 - 2 8 ) 2 3 - 3 2 ( 4 2 ) 3 1 ( 2 2 - 2 9 - 1 7 - 9 - 6 - 1 0 - 1 8 - 2 9 ) 4 0 - 3 3 ( 4 3 ) 2 4 - 4 6 - 3 5 - 2 6 ( 3 ) 1 3 - 1 1 - 1 4 - 2 7 ( 3 5 ) 4 / h 5 - 1 1 , 1 3 - 1 8 , 2 5 , 3 0 - 3 2 , 3 4 , 4 2 H , 1 2 , 1 9 - 2 4 H 2 , 1 - 4 H 3 , ( H , 3 8 , 4 5 ) ( H , 3 9 , 4 4 ) ( H , 4 0 , 4 3 ) / t 3 0 - , 3 1 - , 3 2 - , 3 4 - / m 0 / s 1 |
| InChIKey |
K J H K T H W M R K Y K J E - S U G C F T R W S A - N
|
| Links |
|
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Division of Medical Oncology , Department of Medicine
University of Colorado School of Medicine
Aurora, CO 80045, USA
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