Gene Set: D4 : CTD - brucine
| Collection |
D4 : CTD |
| Chemical Name |
brucine ( From PubChem : B R U C I N U M ) |
| 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 |
| 394.464 g/mol |
0 |
6 |
2.1126 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 2 6 N 2 O 4 / c 1 - 2 7 - 1 6 - 8 - 1 4 - 1 5 ( 9 - 1 7 ( 1 6 ) 2 8 - 2 ) 2 5 - 2 0 ( 2 6 ) 1 0 - 1 8 - 2 1 - 1 3 - 7 - 1 9 - 2 3 ( 1 4 , 2 2 ( 2 1 ) 2 5 ) 4 - 5 - 2 4 ( 1 9 ) 1 1 - 1 2 ( 1 3 ) 3 - 6 - 2 9 - 1 8 / h 3 , 8 - 9 , 1 3 , 1 8 - 1 9 , 2 1 - 2 2 H , 4 - 7 , 1 0 - 1 1 H 2 , 1 - 2 H 3 / t 1 3 - , 1 8 + , 1 9 - , 2 1 - , 2 2 + , 2 3 + / m 0 / s 1 |
| InChIKey |
R R K T Z K I U P Z V B M F - C P H L O Y Q U S A - N
|
| Links |
|
Gene
(17 /
56)
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Tan Lab , Mail Stop 8117
12801 East 17th Avenue
Division of Medical Oncology , Department of Medicine
University of Colorado School of Medicine
Aurora, CO 80045, USA
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