Gene Set: D1 - Approved - C A F F E I N E C I T R A T E
| Collection |
D1 : Approved |
| Chemical Name |
C A F F E I N E C I T R A T 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 |
| 386.314 g/mol |
4 |
13 |
-2.2778 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 8 H 1 0 N 4 O 2 . C 6 H 8 O 7 / c 1 - 1 0 - 4 - 9 - 6 - 5 ( 1 0 ) 7 ( 1 3 ) 1 2 ( 3 ) 8 ( 1 4 ) 1 1 ( 6 ) 2 ; 7 - 3 ( 8 ) 1 - 6 ( 1 3 , 5 ( 1 1 ) 1 2 ) 2 - 4 ( 9 ) 1 0 / h 4 H , 1 - 3 H 3 ; 1 3 H , 1 - 2 H 2 , ( H , 7 , 8 ) ( H , 9 , 1 0 ) ( H , 1 1 , 1 2 ) |
| InChIKey |
R C Q X S Q P P H J P G O F - U H F F F A O Y S A - N
|
| Links |
|
Gene
(4 /
4)
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|
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| Download gene sets |
gmt, text, Detailed text
|
Contact us
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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