Gene Set: D4 : Boss - ecteinascidin 743
| Collection |
D4 : Boss |
| Chemical Name |
ecteinascidin 743 ( From PubChem : T R A B E C T E D I N ) |
| 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 |
| 761.837 g/mol |
4 |
15 |
3.6178 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 9 H 4 3 N 3 O 1 1 S / c 1 - 1 6 - 9 - 2 0 - 1 0 - 2 2 - 3 7 ( 4 6 ) 4 2 - 2 3 - 1 3 - 5 0 - 3 8 ( 4 7 ) 3 9 ( 2 1 - 1 2 - 2 5 ( 4 8 - 5 ) 2 4 ( 4 4 ) 1 1 - 1 9 ( 2 1 ) 7 - 8 - 4 0 - 3 9 ) 1 4 - 5 4 - 3 6 ( 3 0 ( 4 2 ) 2 9 ( 4 1 ( 2 2 ) 4 ) 2 6 ( 2 0 ) 3 1 ( 4 5 ) 3 2 ( 1 6 ) 4 9 - 6 ) 2 8 - 2 7 ( 2 3 ) 3 5 - 3 4 ( 5 1 - 1 5 - 5 2 - 3 5 ) 1 7 ( 2 ) 3 3 ( 2 8 ) 5 3 - 1 8 ( 3 ) 4 3 / h 9 , 1 1 - 1 2 , 2 2 - 2 3 , 2 9 - 3 0 , 3 6 - 3 7 , 4 0 , 4 4 - 4 6 H , 7 - 8 , 1 0 , 1 3 - 1 5 H 2 , 1 - 6 H 3 / t 2 2 ? , 2 3 ? , 2 9 ? , 3 0 ? , 3 6 ? , 3 7 - , 3 9 + / m 0 / s 1 |
| InChIKey |
P K V R C I R H Q M S Y J X - V X R C U E Q G S A - N
|
| Links |
|
Gene
(12 /
30)
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| Download gene sets |
gmt, text, Detailed text
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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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