| Collection |
D4 : TTD |
| Chemical Name |
FR139317 ( From PubChem : F R 1 3 9 3 1 7 ) |
| 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 |
| 604.74 g/mol |
4 |
11 |
4.5236 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 3 H 4 4 N 6 O 5 / c 1 - 2 2 ( 2 ) 1 8 - 2 6 ( 3 7 - 3 3 ( 4 4 ) 3 9 - 1 6 - 1 0 - 4 - 5 - 1 1 - 1 7 - 3 9 ) 3 0 ( 4 0 ) 3 5 - 2 7 ( 1 9 - 2 3 - 2 1 - 3 8 ( 3 ) 2 9 - 1 4 - 7 - 6 - 1 3 - 2 5 ( 2 3 ) 2 9 ) 3 1 ( 4 1 ) 3 6 - 2 8 ( 3 2 ( 4 2 ) 4 3 ) 2 0 - 2 4 - 1 2 - 8 - 9 - 1 5 - 3 4 - 2 4 / h 6 - 9 , 1 2 - 1 5 , 2 1 - 2 2 , 2 6 - 2 8 H , 4 - 5 , 1 0 - 1 1 , 1 6 - 2 0 H 2 , 1 - 3 H 3 , ( H , 3 5 , 4 0 ) ( H , 3 6 , 4 1 ) ( H , 3 7 , 4 4 ) ( H , 4 2 , 4 3 ) / t 2 6 - , 2 7 + , 2 8 + / m 0 / s 1 |
| InChIKey |
L I O K M I Q Q P D D T N O - U P R L R B B Y S A - N
|
| Links |
|
Gene
(3 /
7)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
