| Collection |
D4 : Boss |
| Chemical Name |
brilique ( From PubChem : T I C A G R E L O R ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Approved | Not | Not | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 522.568 g/mol |
4 |
11 |
2.0867 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 2 8 F 2 N 6 O 4 S / c 1 - 2 - 7 - 3 6 - 2 3 - 2 7 - 2 1 ( 2 6 - 1 5 - 9 - 1 2 ( 1 5 ) 1 1 - 3 - 4 - 1 3 ( 2 4 ) 1 4 ( 2 5 ) 8 - 1 1 ) 1 8 - 2 2 ( 2 8 - 2 3 ) 3 1 ( 3 0 - 2 9 - 1 8 ) 1 6 - 1 0 - 1 7 ( 3 5 - 6 - 5 - 3 2 ) 2 0 ( 3 4 ) 1 9 ( 1 6 ) 3 3 / h 3 - 4 , 8 , 1 2 , 1 5 - 1 7 , 1 9 - 2 0 , 3 2 - 3 4 H , 2 , 5 - 7 , 9 - 1 0 H 2 , 1 H 3 , ( H , 2 6 , 2 7 , 2 8 ) / t 1 2 - , 1 5 + , 1 6 + , 1 7 - , 1 9 - , 2 0 + / m 0 / s 1 |
| InChIKey |
O E K W J Q X R C D Y S H L - F N O I D J S Q S A - N
|
| Links |
|
Gene
(15 /
15)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
