Gene Set: D4 : Boss - caswell no. 052b
| Collection |
D4 : Boss |
| Chemical Name |
caswell no. 052b ( From PubChem : A N T I M Y C 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 |
| 548.625 g/mol |
3 |
11 |
4.5802 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 8 H 4 0 N 2 O 9 / c 1 - 6 - 7 - 8 - 9 - 1 1 - 2 0 - 2 5 ( 3 9 - 2 2 ( 3 2 ) 1 4 - 1 6 ( 2 ) 3 ) 1 8 ( 5 ) 3 8 - 2 8 ( 3 6 ) 2 3 ( 1 7 ( 4 ) 3 7 - 2 7 ( 2 0 ) 3 5 ) 3 0 - 2 6 ( 3 4 ) 1 9 - 1 2 - 1 0 - 1 3 - 2 1 ( 2 4 ( 1 9 ) 3 3 ) 2 9 - 1 5 - 3 1 / h 1 0 , 1 2 - 1 3 , 1 5 - 1 8 , 2 0 , 2 3 , 2 5 , 3 3 H , 6 - 9 , 1 1 , 1 4 H 2 , 1 - 5 H 3 , ( H , 2 9 , 3 1 ) ( H , 3 0 , 3 4 ) / t 1 7 - , 1 8 + , 2 0 - , 2 3 + , 2 5 + / m 1 / s 1 |
| InChIKey |
U I F F U Z W R F R D Z J C - S B O O E T F B S A - N
|
| Links |
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Gene
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17)
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