Gene Set: D4 : CTD - Bucladesine
| Collection |
D4 : CTD |
| Chemical Name |
Bucladesine ( From PubChem : [ 6 - [ 6 - ( B U T A N O Y L A M I N O ) P U R I N - 9 - Y L ] - 2 - H Y D R O X Y - 2 - O X O - 4 A , 6 , 7 , 7 A - T E T R A H Y D R O - 4 H - F U R O [ 3 , 2 - D ] [ 1 , 3 , 2 ] D I O X A P H O S P H I N I N - 7 - Y L ] B U T A N O A T E ) |
| 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 |
| 469.386 g/mol |
2 |
13 |
1.763 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 8 H 2 4 N 5 O 8 P / c 1 - 3 - 5 - 1 1 ( 2 4 ) 2 2 - 1 6 - 1 3 - 1 7 ( 2 0 - 8 - 1 9 - 1 6 ) 2 3 ( 9 - 2 1 - 1 3 ) 1 8 - 1 5 ( 3 0 - 1 2 ( 2 5 ) 6 - 4 - 2 ) 1 4 - 1 0 ( 2 9 - 1 8 ) 7 - 2 8 - 3 2 ( 2 6 , 2 7 ) 3 1 - 1 4 / h 8 - 1 0 , 1 4 - 1 5 , 1 8 H , 3 - 7 H 2 , 1 - 2 H 3 , ( H , 2 6 , 2 7 ) ( H , 1 9 , 2 0 , 2 2 , 2 4 ) / t 1 0 - , 1 4 + , 1 5 - , 1 8 - / m 0 / s 1 |
| InChIKey |
C J G Y S W N G N K C J S B - O O F A A Z B H S A - N
|
| Links |
|
Gene
(224 /
473)
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| Download gene sets |
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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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