| Collection |
D4 : TTD |
| Chemical Name |
SM-122 ( From PubChem : S M - 1 2 2 ) |
| 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 |
| 476.61 g/mol |
3 |
7 |
4.0291 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 8 H 3 6 N 4 O 3 / c 1 - 1 9 ( 2 9 - 2 ) 2 6 ( 3 3 ) 3 0 - 2 3 - 1 6 - 1 0 - 9 - 1 5 - 2 2 - 1 7 - 1 8 - 2 4 ( 3 2 ( 2 2 ) 2 8 ( 2 3 ) 3 5 ) 2 7 ( 3 4 ) 3 1 - 2 5 ( 2 0 - 1 1 - 5 - 3 - 6 - 1 2 - 2 0 ) 2 1 - 1 3 - 7 - 4 - 8 - 1 4 - 2 1 / h 3 - 8 , 1 1 - 1 4 , 1 9 , 2 2 - 2 5 , 2 9 H , 9 - 1 0 , 1 5 - 1 8 H 2 , 1 - 2 H 3 , ( H , 3 0 , 3 3 ) ( H , 3 1 , 3 4 ) / t 1 9 - , 2 2 - , 2 3 - , 2 4 - / m 0 / s 1 |
| InChIKey |
X B T L Z U H J B O B K R G - H C U B D L J J S A - N
|
| Links |
|
Gene
(2 /
3)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
