Gene Set: D4 : Boss - abricycline
| Collection |
D4 : Boss |
| Chemical Name |
abricycline ( From PubChem : T E T R A C Y C L I N E ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Approved | Not | Not | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 444.435 g/mol |
6 |
10 |
0.3293 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 2 4 N 2 O 8 / c 1 - 2 1 ( 3 1 ) 8 - 5 - 4 - 6 - 1 1 ( 2 5 ) 1 2 ( 8 ) 1 6 ( 2 6 ) 1 3 - 9 ( 2 1 ) 7 - 1 0 - 1 5 ( 2 4 ( 2 ) 3 ) 1 7 ( 2 7 ) 1 4 ( 2 0 ( 2 3 ) 3 0 ) 1 9 ( 2 9 ) 2 2 ( 1 0 , 3 2 ) 1 8 ( 1 3 ) 2 8 / h 4 - 6 , 9 - 1 0 , 1 5 , 2 5 - 2 6 , 2 9 , 3 1 - 3 2 H , 7 H 2 , 1 - 3 H 3 , ( H 2 , 2 3 , 3 0 ) / t 9 - , 1 0 - , 1 5 - , 2 1 + , 2 2 - / m 0 / s 1 |
| InChIKey |
N W X M G U D V X F X R I G - W E S I U V D S S A - N
|
| Links |
|
Gene
(96 /
107)
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University of Colorado School of Medicine
Aurora, CO 80045, USA
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