| Collection |
D4 : TTD |
| Chemical Name |
Bz--RYYRIK-NH2 ( From PubChem : C H E M B L 2 5 7 9 2 1 ) |
| 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 |
| 985.185 g/mol |
13 |
22 |
5.7148 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 9 H 7 2 N 1 4 O 8 / c 1 - 3 - 3 0 ( 2 ) 4 0 ( 4 7 ( 7 1 ) 5 8 - 3 5 ( 4 1 ( 5 1 ) 6 5 ) 1 8 - 1 0 - 1 1 - 2 5 - 5 0 ) 6 3 - 4 4 ( 6 8 ) 3 7 ( 2 0 - 1 3 - 2 7 - 5 7 - 4 9 ( 5 4 ) 5 5 ) 6 0 - 4 5 ( 6 9 ) 3 9 ( 2 9 - 3 2 - 2 1 - 2 3 - 3 4 ( 6 4 ) 2 4 - 2 2 - 3 2 ) 6 2 - 4 6 ( 7 0 ) 3 8 ( 2 8 - 3 1 - 1 4 - 6 - 4 - 7 - 1 5 - 3 1 ) 6 1 - 4 3 ( 6 7 ) 3 6 ( 1 9 - 1 2 - 2 6 - 5 6 - 4 8 ( 5 2 ) 5 3 ) 5 9 - 4 2 ( 6 6 ) 3 3 - 1 6 - 8 - 5 - 9 - 1 7 - 3 3 / h 4 - 9 , 1 4 - 1 7 , 2 1 - 2 4 , 3 0 , 3 5 - 4 0 , 6 4 H , 3 , 1 0 - 1 3 , 1 8 - 2 0 , 2 5 - 2 9 , 5 0 H 2 , 1 - 2 H 3 , ( H 2 , 5 1 , 6 5 ) ( H , 5 8 , 7 1 ) ( H , 5 9 , 6 6 ) ( H , 6 0 , 6 9 ) ( H , 6 1 , 6 7 ) ( H , 6 2 , 7 0 ) ( H , 6 3 , 6 8 ) ( H 4 , 5 2 , 5 3 , 5 6 ) ( H 4 , 5 4 , 5 5 , 5 7 ) / t 3 0 - , 3 5 - , 3 6 - , 3 7 - , 3 8 - , 3 9 - , 4 0 - / m 0 / s 1 |
| InChIKey |
O B D O G E T Z O B O L D Y - G C F I N Z E G S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | OPRL1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
