Gene Set: D1 - Approved - A L I S K I R E N
| Collection |
D1 : Approved |
| Chemical Name |
A L I S K I R E N |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Approved | Not | Not | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 551.758 g/mol |
4 |
9 |
5.085 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 5 3 N 3 O 6 / c 1 - 1 9 ( 2 ) 2 2 ( 1 4 - 2 1 - 1 0 - 1 1 - 2 6 ( 3 8 - 8 ) 2 7 ( 1 5 - 2 1 ) 3 9 - 1 3 - 9 - 1 2 - 3 7 - 7 ) 1 6 - 2 4 ( 3 1 ) 2 5 ( 3 4 ) 1 7 - 2 3 ( 2 0 ( 3 ) 4 ) 2 8 ( 3 5 ) 3 3 - 1 8 - 3 0 ( 5 , 6 ) 2 9 ( 3 2 ) 3 6 / h 1 0 - 1 1 , 1 5 , 1 9 - 2 0 , 2 2 - 2 5 , 3 4 H , 9 , 1 2 - 1 4 , 1 6 - 1 8 , 3 1 H 2 , 1 - 8 H 3 , ( H 2 , 3 2 , 3 6 ) ( H , 3 3 , 3 5 ) / t 2 2 - , 2 3 + , 2 4 - , 2 5 - / m 0 / s 1 |
| InChIKey |
U X O W G Y H J O D Z G M F - N D B X H C K U S A - N
|
| Links |
|
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Tan Lab , Mail Stop 8117
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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