| Collection |
D4 : Boss |
| Chemical Name |
aclacinon ( From PubChem : A C L A C I N O 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 |
| 848.329 g/mol |
5 |
16 |
3.9597 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 2 H 5 3 N O 1 5 . C l H / c 1 - 8 - 4 2 ( 5 1 ) 1 7 - 2 8 ( 3 3 - 2 2 ( 3 5 ( 4 2 ) 4 1 ( 5 0 ) 5 2 - 7 ) 1 4 - 2 3 - 3 4 ( 3 8 ( 3 3 ) 4 9 ) 3 7 ( 4 8 ) 3 2 - 2 1 ( 3 6 ( 2 3 ) 4 7 ) 1 0 - 9 - 1 1 - 2 6 ( 3 2 ) 4 5 ) 5 6 - 3 0 - 1 5 - 2 4 ( 4 3 ( 5 ) 6 ) 3 9 ( 1 9 ( 3 ) 5 4 - 3 0 ) 5 8 - 3 1 - 1 6 - 2 7 ( 4 6 ) 4 0 ( 2 0 ( 4 ) 5 5 - 3 1 ) 5 7 - 2 9 - 1 3 - 1 2 - 2 5 ( 4 4 ) 1 8 ( 2 ) 5 3 - 2 9 ; / h 9 - 1 1 , 1 4 , 1 8 - 2 0 , 2 4 , 2 7 - 3 1 , 3 5 , 3 9 - 4 0 , 4 5 - 4 6 , 4 9 , 5 1 H , 8 , 1 2 - 1 3 , 1 5 - 1 7 H 2 , 1 - 7 H 3 ; 1 H / t 1 8 - , 1 9 - , 2 0 - , 2 4 - , 2 7 - , 2 8 - , 2 9 - , 3 0 - , 3 1 - , 3 5 - , 3 9 + , 4 0 + , 4 2 + ; / m 0 . / s 1 |
| InChIKey |
K U S M I B X C R Z T V M L - P C C P L W K K S A - N
|
| Links |
|
Gene
(6 /
14)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
