Gene Set: D4 : Boss - zelboraf
| Collection |
D4 : Boss |
| Chemical Name |
zelboraf ( From PubChem : V E M U R A F E N I B ) |
| 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 |
| 489.922 g/mol |
2 |
5 |
6.698 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 1 8 C l F 2 N 3 O 3 S / c 1 - 2 - 9 - 3 3 ( 3 1 , 3 2 ) 2 9 - 1 9 - 8 - 7 - 1 8 ( 2 5 ) 2 0 ( 2 1 ( 1 9 ) 2 6 ) 2 2 ( 3 0 ) 1 7 - 1 2 - 2 8 - 2 3 - 1 6 ( 1 7 ) 1 0 - 1 4 ( 1 1 - 2 7 - 2 3 ) 1 3 - 3 - 5 - 1 5 ( 2 4 ) 6 - 4 - 1 3 / h 3 - 8 , 1 0 - 1 2 , 2 9 H , 2 , 9 H 2 , 1 H 3 , ( H , 2 7 , 2 8 ) |
| InChIKey |
G P X B X X G I A Q B Q N I - U H F F F A O Y S A - N
|
| Links |
|
Gene
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25)
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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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