| Collection |
D4 : TTD |
| Chemical Name |
DIASTEREOMER 2 ( From PubChem : D I A S T E R E O M E R 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 |
| 435.896 g/mol |
1 |
5 |
5.4709 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 1 9 C l F N O 4 S / c 1 - 2 9 ( 2 7 , 2 8 ) 1 8 - 1 0 - 1 5 ( 2 3 ) 9 - 1 7 - 1 6 - 7 - 4 - 1 3 ( 8 - 1 9 ( 2 5 ) 2 6 ) 2 0 ( 1 6 ) 2 4 ( 2 1 ( 1 7 ) 1 8 ) 1 1 - 1 2 - 2 - 5 - 1 4 ( 2 2 ) 6 - 3 - 1 2 / h 2 - 3 , 5 - 6 , 9 - 1 0 , 1 3 H , 4 , 7 - 8 , 1 1 H 2 , 1 H 3 , ( H , 2 5 , 2 6 ) / t 1 3 - / m 0 / s 1 |
| InChIKey |
N X F F J D Q H Y L N E J K - 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 | PTGDR | | | Discontinued target |
|
| Download gene sets |
gmt, text, Detailed text
|
