| Collection |
D4 : TTD |
| Chemical Name |
rac-2q ( From PubChem : C H E M B L 2 4 6 9 6 4 ) |
| 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 |
| 501.337 g/mol |
2 |
9 |
3.3103 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 0 H 1 8 C l 2 N 2 O 7 S / c 2 1 - 1 4 - 1 - 4 - 1 6 ( 5 - 2 - 1 4 ) 3 2 ( 2 9 , 3 0 ) 2 4 - 1 0 - 1 8 ( 2 5 ) 2 3 - 9 - 1 3 ( 2 0 ( 2 4 ) 2 8 ) 7 - 1 2 - 8 - 1 5 ( 2 2 ) 3 - 6 - 1 7 ( 1 2 ) 3 1 - 1 1 - 1 9 ( 2 6 ) 2 7 / h 1 - 6 , 8 , 1 3 H , 7 , 9 - 1 1 H 2 , ( H , 2 3 , 2 5 ) ( H , 2 6 , 2 7 ) / t 1 3 - / m 0 / s 1 |
| InChIKey |
M Z K G V X P H E X N J S G - Z D U S S C G K S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CMA1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
