| Collection |
D4 : CTD |
| Chemical Name |
melagatran ( From PubChem : M E L A G A T R A N ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Not | Not | Not | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 429.513 g/mol |
5 |
9 |
2.3306 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 3 1 N 5 O 4 / c 2 3 - 2 0 ( 2 4 ) 1 6 - 8 - 6 - 1 4 ( 7 - 9 - 1 6 ) 1 2 - 2 6 - 2 1 ( 3 0 ) 1 7 - 1 0 - 1 1 - 2 7 ( 1 7 ) 2 2 ( 3 1 ) 1 9 ( 2 5 - 1 3 - 1 8 ( 2 8 ) 2 9 ) 1 5 - 4 - 2 - 1 - 3 - 5 - 1 5 / h 6 - 9 , 1 5 , 1 7 , 1 9 , 2 5 H , 1 - 5 , 1 0 - 1 3 H 2 , ( H 3 , 2 3 , 2 4 ) ( H , 2 6 , 3 0 ) ( H , 2 8 , 2 9 ) / t 1 7 - , 1 9 + / m 0 / s 1 |
| InChIKey |
D K W N M C U O E D M M I N - P K O B Y X M F S A - N
|
| Links |
|
Gene
(3 /
4)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
