| Collection |
D4 : TTD |
| Chemical Name |
PREMETREXED ( From PubChem : P E M E 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 |
| 427.411 g/mol |
6 |
9 |
1.6385 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 0 H 2 1 N 5 O 6 / c 2 1 - 2 0 - 2 4 - 1 6 - 1 5 ( 1 8 ( 2 9 ) 2 5 - 2 0 ) 1 2 ( 9 - 2 2 - 1 6 ) 6 - 3 - 1 0 - 1 - 4 - 1 1 ( 5 - 2 - 1 0 ) 1 7 ( 2 8 ) 2 3 - 1 3 ( 1 9 ( 3 0 ) 3 1 ) 7 - 8 - 1 4 ( 2 6 ) 2 7 / h 1 - 2 , 4 - 5 , 9 , 1 3 H , 3 , 6 - 8 H 2 , ( H , 2 3 , 2 8 ) ( H , 2 6 , 2 7 ) ( H , 3 0 , 3 1 ) ( H 4 , 2 1 , 2 2 , 2 4 , 2 5 , 2 9 ) / t 1 3 - / m 1 / s 1 |
| InChIKey |
W B X P D J S O T K V W S J - C Y B M U J F W S A - N
|
| Links |
|
Gene
(6 /
12)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
