Gene Set: D1 - Approved - M E T H Y L E R G O N O V I N E M A L E A T E
| Collection |
D1 : Approved |
| Chemical Name |
M E T H Y L E R G O N O V I N E M A L E 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 |
| 455.504 g/mol |
5 |
8 |
1.9653 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 0 H 2 5 N 3 O 2 . C 4 H 4 O 4 / c 1 - 3 - 1 4 ( 1 1 - 2 4 ) 2 2 - 2 0 ( 2 5 ) 1 3 - 7 - 1 6 - 1 5 - 5 - 4 - 6 - 1 7 - 1 9 ( 1 5 ) 1 2 ( 9 - 2 1 - 1 7 ) 8 - 1 8 ( 1 6 ) 2 3 ( 2 ) 1 0 - 1 3 ; 5 - 3 ( 6 ) 1 - 2 - 4 ( 7 ) 8 / h 4 - 7 , 9 , 1 3 - 1 4 , 1 8 , 2 1 , 2 4 H , 3 , 8 , 1 0 - 1 1 H 2 , 1 - 2 H 3 , ( H , 2 2 , 2 5 ) ; 1 - 2 H , ( H , 5 , 6 ) ( H , 7 , 8 ) / b ; 2 - 1 - / t 1 3 - , 1 4 + , 1 8 ? ; / m 1 . / s 1 |
| InChIKey |
N O F O W W R H E P H D C Y - Z W R C B B A I S A - N
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| Links |
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Gene
(2 /
3)
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