| Collection |
D4 : TTD |
| Chemical Name |
PD142893 ( From PubChem : C H E M B L 4 3 8 1 9 4 ) |
| 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 |
| 924.092 g/mol |
9 |
16 |
6.5918 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 0 H 6 5 N 7 O 1 0 / c 1 - 8 - 2 9 ( 5 ) 4 3 ( 4 8 ( 6 4 ) 5 5 - 4 1 ( 5 0 ( 6 6 ) 6 7 ) 2 5 - 3 5 - 2 7 - 5 1 - 3 7 - 1 8 - 1 4 - 1 3 - 1 7 - 3 6 ( 3 5 ) 3 7 ) 5 7 - 4 9 ( 6 5 ) 4 4 ( 3 0 ( 6 ) 9 - 2 ) 5 6 - 4 7 ( 6 3 ) 4 0 ( 2 6 - 4 2 ( 5 9 ) 6 0 ) 5 4 - 4 5 ( 6 1 ) 3 8 ( 2 3 - 2 8 ( 3 ) 4 ) 5 3 - 4 6 ( 6 2 ) 3 9 ( 5 2 - 3 1 ( 7 ) 5 8 ) 2 4 - 3 2 - 1 9 - 2 1 - 3 4 ( 2 2 - 2 0 - 3 2 ) 3 3 - 1 5 - 1 1 - 1 0 - 1 2 - 1 6 - 3 3 / h 1 0 - 2 2 , 2 7 - 3 0 , 3 8 - 4 1 , 4 3 - 4 4 , 5 1 H , 8 - 9 , 2 3 - 2 6 H 2 , 1 - 7 H 3 , ( H , 5 2 , 5 8 ) ( H , 5 3 , 6 2 ) ( H , 5 4 , 6 1 ) ( H , 5 5 , 6 4 ) ( H , 5 6 , 6 3 ) ( H , 5 7 , 6 5 ) ( H , 5 9 , 6 0 ) ( H , 6 6 , 6 7 ) / t 2 9 - , 3 0 - , 3 8 - , 3 9 + , 4 0 - , 4 1 - , 4 3 - , 4 4 - / m 0 / s 1 |
| InChIKey |
I F D N L S R Y Z K U G I R - K X X X Q F F T S A - N
|
| Links |
|
Gene
(4 /
7)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
