| Collection |
D4 : CTD |
| Chemical Name |
Epothilones ( From PubChem : E P O T H I L O N E A ) |
| 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 |
| 493.656 g/mol |
2 |
8 |
4.0874 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 6 H 3 9 N O 6 S / c 1 - 1 4 - 8 - 7 - 9 - 1 9 - 2 1 ( 3 2 - 1 9 ) 1 1 - 2 0 ( 1 5 ( 2 ) 1 0 - 1 8 - 1 3 - 3 4 - 1 7 ( 4 ) 2 7 - 1 8 ) 3 3 - 2 3 ( 2 9 ) 1 2 - 2 2 ( 2 8 ) 2 6 ( 5 , 6 ) 2 5 ( 3 1 ) 1 6 ( 3 ) 2 4 ( 1 4 ) 3 0 / h 1 0 , 1 3 - 1 4 , 1 6 , 1 9 - 2 2 , 2 4 , 2 8 , 3 0 H , 7 - 9 , 1 1 - 1 2 H 2 , 1 - 6 H 3 / b 1 5 - 1 0 + / t 1 4 - , 1 6 + , 1 9 + , 2 0 - , 2 1 - , 2 2 - , 2 4 - / m 0 / s 1 |
| InChIKey |
H E S C A J Z N R M S M J G - K K Q R B I R O S A - N
|
| Links |
|
Gene
(6 /
12)
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|
|
| Download gene sets |
gmt, text, Detailed text
|
