| Collection |
D4 : TTD |
| Chemical Name |
adociasulfate-2 ( From PubChem : A D O C I A S U L F A T E - 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 |
| 738.902 g/mol |
0 |
9 |
9.3529 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 6 H 5 4 O 9 S 2 . 2 N a / c 1 - 3 1 ( 2 ) 1 5 - 8 - 1 6 - 3 6 ( 7 ) 2 5 ( 3 1 ) 1 1 - 1 8 - 3 4 ( 5 ) 2 7 - 1 2 - 1 7 - 3 3 ( 4 ) 2 6 ( 3 2 ( 2 7 , 3 ) 2 0 - 1 4 - 2 9 ( 3 4 ) 4 3 - 3 6 ) 1 3 - 1 9 - 3 5 ( 6 ) 2 8 ( 3 3 ) 2 1 - 2 2 - 2 3 ( 4 4 - 4 6 ( 3 7 , 3 8 ) 3 9 ) 9 - 1 0 - 2 4 ( 3 0 ( 2 2 ) 3 5 ) 4 5 - 4 7 ( 4 0 , 4 1 ) 4 2 ; ; / h 9 - 1 0 , 2 5 - 2 9 H , 8 , 1 1 - 2 1 H 2 , 1 - 7 H 3 , ( H , 3 7 , 3 8 , 3 9 ) ( H , 4 0 , 4 1 , 4 2 ) ; ; / q ; 2 * + 1 / p - 2 / t 2 5 ? , 2 6 ? , 2 7 ? , 2 8 ? , 2 9 ? , 3 2 - , 3 3 - , 3 4 + , 3 5 + , 3 6 + ; ; / m 1 . . / s 1 |
| InChIKey |
L L F W G A C F I W P W D A - M Z M M E M K C S A - L
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | KIF11 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
