| Collection |
D4 : TTD |
| Chemical Name |
Raltitrexed ( From PubChem : R A L T I T R E X E D ) |
| 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 |
| 458.488 g/mol |
4 |
10 |
2.3681 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 2 2 N 4 O 6 S / c 1 - 1 1 - 2 2 - 1 4 - 4 - 3 - 1 2 ( 9 - 1 3 ( 1 4 ) 1 9 ( 2 8 ) 2 3 - 1 1 ) 1 0 - 2 5 ( 2 ) 1 7 - 7 - 6 - 1 6 ( 3 2 - 1 7 ) 2 0 ( 2 9 ) 2 4 - 1 5 ( 2 1 ( 3 0 ) 3 1 ) 5 - 8 - 1 8 ( 2 6 ) 2 7 / h 3 - 4 , 6 - 7 , 9 , 1 5 H , 5 , 8 , 1 0 H 2 , 1 - 2 H 3 , ( H , 2 4 , 2 9 ) ( H , 2 6 , 2 7 ) ( H , 3 0 , 3 1 ) ( H , 2 2 , 2 3 , 2 8 ) / t 1 5 - / m 0 / s 1 |
| InChIKey |
I V T V G D X N L F L D R M - H N N X B M F Y S A - N
|
| Links |
|
Gene
(5 /
8)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
