| Collection |
D4 : TTD |
| Chemical Name |
Trisnorsqualene difluoromethylidene ( From PubChem : C H E M B L 4 5 7 6 8 7 ) |
| 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 |
| 418.646 g/mol |
0 |
0 |
10.4192 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 8 H 4 4 F 2 / c 1 - 2 3 ( 2 ) 1 3 - 9 - 1 6 - 2 6 ( 5 ) 1 9 - 1 0 - 1 7 - 2 4 ( 3 ) 1 4 - 7 - 8 - 1 5 - 2 5 ( 4 ) 1 8 - 1 1 - 2 0 - 2 7 ( 6 ) 2 1 - 1 2 - 2 2 - 2 8 ( 2 9 ) 3 0 / h 1 3 - 1 5 , 1 9 - 2 0 , 2 2 H , 7 - 1 2 , 1 6 - 1 8 , 2 1 H 2 , 1 - 6 H 3 / b 2 4 - 1 4 + , 2 5 - 1 5 + , 2 6 - 1 9 + , 2 7 - 2 0 + |
| InChIKey |
V S X S I Z U L F I R U R F - O G D Z R K E V S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | SQLE | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
