Gene Set: D1 - Approved - I N D A C A T E R O L M A L E A T E
| Collection |
D1 : Approved |
| Chemical Name |
I N D A C A T E R O L 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 |
| 508.563 g/mol |
6 |
8 |
3.2516 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 4 H 2 8 N 2 O 3 . C 4 H 4 O 4 / c 1 - 3 - 1 4 - 9 - 1 6 - 1 1 - 1 8 ( 1 2 - 1 7 ( 1 6 ) 1 0 - 1 5 ( 1 4 ) 4 - 2 ) 2 5 - 1 3 - 2 2 ( 2 8 ) 1 9 - 5 - 7 - 2 1 ( 2 7 ) 2 4 - 2 0 ( 1 9 ) 6 - 8 - 2 3 ( 2 9 ) 2 6 - 2 4 ; 5 - 3 ( 6 ) 1 - 2 - 4 ( 7 ) 8 / h 5 - 1 0 , 1 8 , 2 2 , 2 5 , 2 7 - 2 8 H , 3 - 4 , 1 1 - 1 3 H 2 , 1 - 2 H 3 , ( H , 2 6 , 2 9 ) ; 1 - 2 H , ( H , 5 , 6 ) ( H , 7 , 8 ) / b ; 2 - 1 - / t 2 2 - ; / m 0 . / s 1 |
| InChIKey |
I R E J F X I H X R Z F E R - P C B A Q X H C S A - N
|
| Links |
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Gene
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1)
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