| Collection |
D4 : TTD |
| Chemical Name |
LB30812 ( From PubChem : D N C 0 0 0 8 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 |
| 662.68 g/mol |
6 |
12 |
5.3633 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 8 H 3 2 N 6 O 4 S . C 2 H F 3 O 2 / c 2 9 - 2 6 ( 3 0 ) 2 2 - 1 3 - 1 1 - 1 9 ( 1 2 - 1 4 - 2 2 ) 1 7 - 3 2 - 2 7 ( 3 5 ) 2 3 - 1 5 - 1 6 - 3 4 ( 1 8 - 2 3 ) 2 8 ( 3 6 ) 2 5 ( 3 3 - 3 9 ( 3 1 , 3 7 ) 3 8 ) 2 4 ( 2 0 - 7 - 3 - 1 - 4 - 8 - 2 0 ) 2 1 - 9 - 5 - 2 - 6 - 1 0 - 2 1 ; 3 - 2 ( 4 , 5 ) 1 ( 6 ) 7 / h 1 - 1 4 , 2 3 - 2 5 , 3 3 H , 1 5 - 1 8 H 2 , ( H 3 , 2 9 , 3 0 ) ( H , 3 2 , 3 5 ) ( H 2 , 3 1 , 3 7 , 3 8 ) ; ( H , 6 , 7 ) / t 2 3 - , 2 5 - ; / m 1 . / s 1 |
| InChIKey |
R N D L E W F H H M P O D L - Z H E Q Y F E D S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | F2 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
