Gene Set: D1 - Approved - C L E M A S T I N E F U M A R A T E
| Collection |
D1 : Approved |
| Chemical Name |
C L E M A S T I N E F U M A R 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 |
| 459.962 g/mol |
2 |
6 |
4.7541 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 2 6 C l N O . C 4 H 4 O 4 / c 1 - 2 1 ( 1 7 - 7 - 4 - 3 - 5 - 8 - 1 7 , 1 8 - 1 0 - 1 2 - 1 9 ( 2 2 ) 1 3 - 1 1 - 1 8 ) 2 4 - 1 6 - 1 4 - 2 0 - 9 - 6 - 1 5 - 2 3 ( 2 0 ) 2 ; 5 - 3 ( 6 ) 1 - 2 - 4 ( 7 ) 8 / h 3 - 5 , 7 - 8 , 1 0 - 1 3 , 2 0 H , 6 , 9 , 1 4 - 1 6 H 2 , 1 - 2 H 3 ; 1 - 2 H , ( H , 5 , 6 ) ( H , 7 , 8 ) / b ; 2 - 1 + / t 2 0 - , 2 1 - ; / m 1 . / s 1 |
| InChIKey |
P M G Q W S I V Q F O F O Q - Y K V Z V U F R S A - N
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| Links |
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Gene
(3 /
3)
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