Gene Set: D4 : Boss - 538, abt
| Collection |
D4 : Boss |
| Chemical Name |
538, abt ( From PubChem : R I T O 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 |
| 720.944 g/mol |
4 |
13 |
7.0779 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 7 H 4 8 N 6 O 5 S 2 / c 1 - 2 4 ( 2 ) 3 3 ( 4 2 - 3 6 ( 4 6 ) 4 3 ( 5 ) 2 0 - 2 9 - 2 2 - 4 9 - 3 5 ( 4 0 - 2 9 ) 2 5 ( 3 ) 4 ) 3 4 ( 4 5 ) 3 9 - 2 8 ( 1 6 - 2 6 - 1 2 - 8 - 6 - 9 - 1 3 - 2 6 ) 1 8 - 3 2 ( 4 4 ) 3 1 ( 1 7 - 2 7 - 1 4 - 1 0 - 7 - 1 1 - 1 5 - 2 7 ) 4 1 - 3 7 ( 4 7 ) 4 8 - 2 1 - 3 0 - 1 9 - 3 8 - 2 3 - 5 0 - 3 0 / h 6 - 1 5 , 1 9 , 2 2 - 2 5 , 2 8 , 3 1 - 3 3 , 4 4 H , 1 6 - 1 8 , 2 0 - 2 1 H 2 , 1 - 5 H 3 , ( H , 3 9 , 4 5 ) ( H , 4 1 , 4 7 ) ( H , 4 2 , 4 6 ) / t 2 8 - , 3 1 - , 3 2 - , 3 3 - / m 0 / s 1 |
| InChIKey |
N C D N C N X C D X H O M X - X G K F Q T D J S A - N
|
| Links |
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Gene
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45)
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