| Collection |
D1 : Approved |
| Chemical Name |
A B A R E L I X |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Approved | Not | Not | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 1416.06 g/mol |
13 |
28 |
6.0246 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 7 2 H 9 5 C l N 1 4 O 1 4 / c 1 - 4 1 ( 2 ) 3 2 - 5 4 ( 6 4 ( 9 3 ) 8 0 - 5 3 ( 1 7 - 1 0 - 1 1 - 3 0 - 7 7 - 4 2 ( 3 ) 4 ) 7 2 ( 1 0 1 ) 8 7 - 3 1 - 1 3 - 1 8 - 6 0 ( 8 7 ) 6 9 ( 9 8 ) 7 8 - 4 3 ( 5 ) 6 3 ( 7 5 ) 9 2 ) 8 1 - 6 8 ( 9 7 ) 5 8 ( 3 8 - 6 2 ( 7 4 ) 9 1 ) 8 4 - 7 0 ( 9 9 ) 6 1 ( 3 7 - 4 6 - 2 2 - 2 7 - 5 2 ( 9 0 ) 2 8 - 2 3 - 4 6 ) 8 6 ( 7 ) 7 1 ( 1 0 0 ) 5 9 ( 4 0 - 8 8 ) 8 5 - 6 7 ( 9 6 ) 5 7 ( 3 6 - 4 8 - 1 4 - 1 2 - 2 9 - 7 6 - 3 9 - 4 8 ) 8 3 - 6 6 ( 9 5 ) 5 6 ( 3 4 - 4 5 - 2 0 - 2 5 - 5 1 ( 7 3 ) 2 6 - 2 1 - 4 5 ) 8 2 - 6 5 ( 9 4 ) 5 5 ( 7 9 - 4 4 ( 6 ) 8 9 ) 3 5 - 4 7 - 1 9 - 2 4 - 4 9 - 1 5 - 8 - 9 - 1 6 - 5 0 ( 4 9 ) 3 3 - 4 7 / h 8 - 9 , 1 2 , 1 4 - 1 6 , 1 9 - 2 9 , 3 3 , 3 9 , 4 1 - 4 3 , 5 3 - 6 1 , 7 7 , 8 8 , 9 0 H , 1 0 - 1 1 , 1 3 , 1 7 - 1 8 , 3 0 - 3 2 , 3 4 - 3 8 , 4 0 H 2 , 1 - 7 H 3 , ( H 2 , 7 4 , 9 1 ) ( H 2 , 7 5 , 9 2 ) ( H , 7 8 , 9 8 ) ( H , 7 9 , 8 9 ) ( H , 8 0 , 9 3 ) ( H , 8 1 , 9 7 ) ( H , 8 2 , 9 4 ) ( H , 8 3 , 9 5 ) ( H , 8 4 , 9 9 ) ( H , 8 5 , 9 6 ) / t 4 3 - , 5 3 + , 5 4 + , 5 5 - , 5 6 - , 5 7 - , 5 8 - , 5 9 + , 6 0 + , 6 1 + / m 1 / s 1 |
| InChIKey |
A I W R T T M U V O Z G P W - H S P K U Q O V S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
