| Collection |
D4 : CTD |
| Chemical Name |
Demeclocycline ( From PubChem : D E M E C L O C Y C L I N E ) |
| 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 |
| 464.853 g/mol |
6 |
10 |
0.8086 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 2 1 C l N 2 O 8 / c 1 - 2 4 ( 2 ) 1 4 - 7 - 5 - 6 - 1 0 ( 1 6 ( 2 7 ) 1 2 - 9 ( 2 5 ) 4 - 3 - 8 ( 2 2 ) 1 1 ( 1 2 ) 1 5 ( 6 ) 2 6 ) 1 8 ( 2 9 ) 2 1 ( 7 , 3 2 ) 1 9 ( 3 0 ) 1 3 ( 1 7 ( 1 4 ) 2 8 ) 2 0 ( 2 3 ) 3 1 / h 3 - 4 , 6 - 7 , 1 4 - 1 5 , 2 5 - 2 7 , 3 0 , 3 2 H , 5 H 2 , 1 - 2 H 3 , ( H 2 , 2 3 , 3 1 ) / t 6 - , 7 - , 1 4 - , 1 5 - , 2 1 - / m 0 / s 1 |
| InChIKey |
G U X H B M A S A H G U L D - S E Y H B J A F S A - N
|
| Links |
|
Gene
(6 /
9)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
