| Collection |
D4 : CTD |
| Chemical Name |
cinobufotalin ( From PubChem : C I N O B U F O T A L I N ) |
| 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 |
| 458.544 g/mol |
2 |
7 |
2.9148 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 6 H 3 4 O 7 / c 1 - 1 4 ( 2 7 ) 3 2 - 2 1 - 2 0 ( 1 5 - 4 - 5 - 1 9 ( 2 9 ) 3 1 - 1 3 - 1 5 ) 2 4 ( 3 ) 1 0 - 7 - 1 7 - 1 8 ( 2 6 ( 2 4 ) 2 2 ( 2 1 ) 3 3 - 2 6 ) 8 - 1 1 - 2 5 ( 3 0 ) 1 2 - 1 6 ( 2 8 ) 6 - 9 - 2 3 ( 1 7 , 2 5 ) 2 / h 4 - 5 , 1 3 , 1 6 - 1 8 , 2 0 - 2 2 , 2 8 , 3 0 H , 6 - 1 2 H 2 , 1 - 3 H 3 / t 1 6 - , 1 7 - , 1 8 + , 2 0 - , 2 1 + , 2 2 + , 2 3 + , 2 4 + , 2 5 - , 2 6 + / m 0 / s 1 |
| InChIKey |
K B K U J J F D S H B P P A - Z N C G Z L K O S A - N
|
| Links |
|
Gene
(8 /
8)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
