| Collection |
D4 : TTD |
| Chemical Name |
AL7099A ( From PubChem : A L 7 0 9 9 A ) |
| 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 |
| 403.497 g/mol |
2 |
9 |
4.1913 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 4 H 1 7 N 3 O 5 S 3 / c 1 - 1 6 - 1 2 - 8 - 1 7 ( 9 - 4 - 3 - 5 - 1 0 ( 6 - 9 ) 2 2 - 2 ) 2 5 ( 2 0 , 2 1 ) 1 4 - 1 1 ( 1 2 ) 7 - 1 3 ( 2 3 - 1 4 ) 2 4 ( 1 5 , 1 8 ) 1 9 / h 3 - 7 , 1 2 , 1 6 H , 8 H 2 , 1 - 2 H 3 , ( H 2 , 1 5 , 1 8 , 1 9 ) / t 1 2 - / m 1 / s 1 |
| InChIKey |
R M O X C Y S V W C H X I I - G F C C V E G C S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CA2 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
