| Collection |
D4 : TTD |
| Chemical Name |
CGS 21680 ( From PubChem : C G S 2 1 6 8 0 ) |
| 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 |
| 499.52 g/mol |
6 |
13 |
0.8807 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 2 9 N 7 O 6 / c 1 - 2 - 2 5 - 2 1 ( 3 5 ) 1 8 - 1 6 ( 3 3 ) 1 7 ( 3 4 ) 2 2 ( 3 6 - 1 8 ) 3 0 - 1 1 - 2 7 - 1 5 - 1 9 ( 2 4 ) 2 8 - 2 3 ( 2 9 - 2 0 ( 1 5 ) 3 0 ) 2 6 - 1 0 - 9 - 1 3 - 5 - 3 - 1 2 ( 4 - 6 - 1 3 ) 7 - 8 - 1 4 ( 3 1 ) 3 2 / h 3 - 6 , 1 1 , 1 6 - 1 8 , 2 2 , 3 3 - 3 4 H , 2 , 7 - 1 0 H 2 , 1 H 3 , ( H , 2 5 , 3 5 ) ( H , 3 1 , 3 2 ) ( H 3 , 2 4 , 2 6 , 2 8 , 2 9 ) / t 1 6 - , 1 7 + , 1 8 - , 2 2 + / m 0 / s 1 |
| InChIKey |
P A O A N W Z G L P P R O A - R Q X X J A G I S A - N
|
| Links |
|
Gene
(2 /
3)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
