Gene Set: D1 - Approved - T O F A C I T I N I B C I T R A T E
| Collection |
D1 : Approved |
| Chemical Name |
T O F A C I T I N I B C I T 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 |
| 504.493 g/mol |
5 |
13 |
0.23418 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 6 H 2 0 N 6 O . C 6 H 8 O 7 / c 1 - 1 1 - 5 - 8 - 2 2 ( 1 4 ( 2 3 ) 3 - 6 - 1 7 ) 9 - 1 3 ( 1 1 ) 2 1 ( 2 ) 1 6 - 1 2 - 4 - 7 - 1 8 - 1 5 ( 1 2 ) 1 9 - 1 0 - 2 0 - 1 6 ; 7 - 3 ( 8 ) 1 - 6 ( 1 3 , 5 ( 1 1 ) 1 2 ) 2 - 4 ( 9 ) 1 0 / h 4 , 7 , 1 0 - 1 1 , 1 3 H , 3 , 5 , 8 - 9 H 2 , 1 - 2 H 3 , ( H , 1 8 , 1 9 , 2 0 ) ; 1 3 H , 1 - 2 H 2 , ( H , 7 , 8 ) ( H , 9 , 1 0 ) ( H , 1 1 , 1 2 ) / t 1 1 - , 1 3 + ; / m 1 . / s 1 |
| InChIKey |
S Y I K U F D O Y J F G B Q - Y L A F A A S E S A - N
|
| Links |
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Gene
(4 /
4)
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