Gene Set: D4 : CTD - montelukast
| Collection |
D4 : CTD |
| Chemical Name |
montelukast ( From PubChem : M O N T E L U K A S T ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Approved | Not | Not | Approved | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 586.183 g/mol |
2 |
5 |
8.948 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 5 H 3 6 C l N O 3 S / c 1 - 3 4 ( 2 , 4 0 ) 3 0 - 9 - 4 - 3 - 7 - 2 5 ( 3 0 ) 1 3 - 1 7 - 3 2 ( 4 1 - 2 3 - 3 5 ( 1 8 - 1 9 - 3 5 ) 2 2 - 3 3 ( 3 8 ) 3 9 ) 2 7 - 8 - 5 - 6 - 2 4 ( 2 0 - 2 7 ) 1 0 - 1 5 - 2 9 - 1 6 - 1 2 - 2 6 - 1 1 - 1 4 - 2 8 ( 3 6 ) 2 1 - 3 1 ( 2 6 ) 3 7 - 2 9 / h 3 - 1 2 , 1 4 - 1 6 , 2 0 - 2 1 , 3 2 , 4 0 H , 1 3 , 1 7 - 1 9 , 2 2 - 2 3 H 2 , 1 - 2 H 3 , ( H , 3 8 , 3 9 ) / b 1 5 - 1 0 + / t 3 2 - / m 1 / s 1 |
| InChIKey |
U C H D W C P V S P X U M X - T Z I W L T J V S A - N
|
| Links |
|
Gene
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63)
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| Download gene sets |
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