| Collection |
D4 : CTD |
| Chemical Name |
calyculin A ( From PubChem : C A L Y C U L I N A ) |
| 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 |
| 1009.17 g/mol |
8 |
19 |
5.07988 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 0 H 8 1 N 4 O 1 5 P / c 1 - 2 9 ( 2 0 - 2 2 - 5 1 ) 1 6 - 1 4 - 1 7 - 3 0 ( 2 ) 3 2 ( 4 ) 2 4 - 3 3 ( 5 ) 4 2 ( 5 7 ) 3 5 ( 7 ) 3 8 ( 5 5 ) 2 5 - 4 1 ( 6 5 - 1 3 ) 4 5 - 4 6 ( 6 9 - 7 0 ( 6 1 , 6 2 ) 6 3 ) 4 9 ( 8 , 9 ) 5 0 ( 6 8 - 4 5 ) 2 6 - 3 9 ( 5 6 ) 3 4 ( 6 ) 4 0 ( 6 7 - 5 0 ) 1 9 - 1 5 - 1 8 - 3 6 - 2 7 - 6 6 - 4 8 ( 5 3 - 3 6 ) 3 1 ( 3 ) 2 1 - 2 3 - 5 2 - 4 7 ( 6 0 ) 4 4 ( 5 9 ) 4 3 ( 5 8 ) 3 7 ( 2 8 - 6 4 - 1 2 ) 5 4 ( 1 0 ) 1 1 / h 1 4 - 1 8 , 2 0 , 2 4 , 2 7 , 3 1 , 3 3 - 3 5 , 3 7 - 4 6 , 5 5 - 5 9 H , 1 9 , 2 1 , 2 3 , 2 5 - 2 6 , 2 8 H 2 , 1 - 1 3 H 3 , ( H , 5 2 , 6 0 ) ( H 2 , 6 1 , 6 2 , 6 3 ) |
| InChIKey |
F K A W L X N L H H I H L A - U H F F F A O Y S A - N
|
| Links |
|
Gene
(22 /
47)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
