| Collection |
D4 : TTD |
| Chemical Name |
MLN4924 ( From PubChem : P E V O N E D I S T A T ) |
| 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 |
| 443.519 g/mol |
3 |
9 |
3.9169 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 2 5 N 5 O 4 S / c 2 2 - 3 1 ( 2 8 , 2 9 ) 3 0 - 1 1 - 1 4 - 9 - 1 5 ( 1 0 - 1 9 ( 1 4 ) 2 7 ) 2 6 - 8 - 7 - 1 7 - 2 0 ( 2 3 - 1 2 - 2 4 - 2 1 ( 1 7 ) 2 6 ) 2 5 - 1 8 - 6 - 5 - 1 3 - 3 - 1 - 2 - 4 - 1 6 ( 1 3 ) 1 8 / h 1 - 4 , 7 - 8 , 1 2 , 1 4 - 1 5 , 1 8 - 1 9 , 2 7 H , 5 - 6 , 9 - 1 1 H 2 , ( H 2 , 2 2 , 2 8 , 2 9 ) ( H , 2 3 , 2 4 , 2 5 ) / t 1 4 - , 1 5 + , 1 8 - , 1 9 - / m 0 / s 1 |
| InChIKey |
M P U Q H Z X I X S T T D U - Q X G S T G N E S A - N
|
| Links |
|
Gene
(3 /
4)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
