Gene Set: D1 - Approved - A L O G L I P T I N B E N Z O A T E
| Collection |
D1 : Approved |
| Chemical Name |
A L O G L I P T I N B E N Z O A T E |
| 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 |
| 461.513 g/mol |
2 |
9 |
2.54458 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 8 H 2 1 N 5 O 2 . C 7 H 6 O 2 / c 1 - 2 1 - 1 7 ( 2 4 ) 9 - 1 6 ( 2 2 - 8 - 4 - 7 - 1 5 ( 2 0 ) 1 2 - 2 2 ) 2 3 ( 1 8 ( 2 1 ) 2 5 ) 1 1 - 1 4 - 6 - 3 - 2 - 5 - 1 3 ( 1 4 ) 1 0 - 1 9 ; 8 - 7 ( 9 ) 6 - 4 - 2 - 1 - 3 - 5 - 6 / h 2 - 3 , 5 - 6 , 9 , 1 5 H , 4 , 7 - 8 , 1 1 - 1 2 , 2 0 H 2 , 1 H 3 ; 1 - 5 H , ( H , 8 , 9 ) / t 1 5 - ; / m 1 . / s 1 |
| InChIKey |
K E J I C O X J T R H Y A K - X F U L W G L B S A - N
|
| Links |
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Gene
(1 /
1)
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gmt, text, Detailed text
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