| Collection |
D4 : TTD |
| Chemical Name |
[Bpa1]AngII ( From PubChem : C H E M B L 1 0 7 6 6 1 2 ) |
| 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 |
| 1182.37 g/mol |
12 |
23 |
6.0685 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 6 2 H 7 9 N 1 3 O 1 1 / c 1 - 5 - 3 7 ( 4 ) 5 2 ( 5 9 ( 8 3 ) 7 1 - 4 8 ( 3 3 - 4 3 - 3 4 - 6 6 - 3 5 - 6 8 - 4 3 ) 6 0 ( 8 4 ) 7 5 - 2 9 - 1 3 - 1 9 - 5 0 ( 7 5 ) 5 7 ( 8 1 ) 7 2 - 4 9 ( 6 1 ( 8 5 ) 8 6 ) 3 2 - 3 8 - 1 4 - 8 - 6 - 9 - 1 5 - 3 8 ) 7 4 - 5 6 ( 8 0 ) 4 7 ( 3 1 - 4 0 - 2 2 - 2 6 - 4 4 ( 7 6 ) 2 7 - 2 3 - 4 0 ) 7 0 - 5 8 ( 8 2 ) 5 1 ( 3 6 ( 2 ) 3 ) 7 3 - 5 5 ( 7 9 ) 4 6 ( 1 8 - 1 2 - 2 8 - 6 7 - 6 2 ( 6 4 ) 6 5 ) 6 9 - 5 4 ( 7 8 ) 4 5 ( 6 3 ) 3 0 - 3 9 - 2 0 - 2 4 - 4 2 ( 2 5 - 2 1 - 3 9 ) 5 3 ( 7 7 ) 4 1 - 1 6 - 1 0 - 7 - 1 1 - 1 7 - 4 1 / h 6 - 1 1 , 1 4 - 1 7 , 2 0 - 2 7 , 3 4 - 3 7 , 4 5 - 5 2 , 7 6 H , 5 , 1 2 - 1 3 , 1 8 - 1 9 , 2 8 - 3 3 , 6 3 H 2 , 1 - 4 H 3 , ( H , 6 6 , 6 8 ) ( H , 6 9 , 7 8 ) ( H , 7 0 , 8 2 ) ( H , 7 1 , 8 3 ) ( H , 7 2 , 8 1 ) ( H , 7 3 , 7 9 ) ( H , 7 4 , 8 0 ) ( H , 8 5 , 8 6 ) ( H 4 , 6 4 , 6 5 , 6 7 ) / t 3 7 - , 4 5 - , 4 6 - , 4 7 - , 4 8 - , 4 9 - , 5 0 - , 5 1 - , 5 2 - / m 0 / s 1 |
| InChIKey |
S S P Y R Q D C P Z Q E B X - L W J O A R R H S A - N
|
| Links |
|
Gene
(1 /
2)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
