| Collection |
D4 : TTD |
| Chemical Name |
BIPHALIN ( From PubChem : B I P H A L I N ) |
| 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 |
| 908.998 g/mol |
12 |
20 |
2.9096 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 6 H 5 6 N 1 0 O 1 0 / c 1 - 2 7 ( 5 1 - 4 3 ( 6 3 ) 3 5 ( 4 7 ) 2 1 - 3 1 - 1 3 - 1 7 - 3 3 ( 5 7 ) 1 8 - 1 4 - 3 1 ) 4 1 ( 6 1 ) 4 9 - 2 5 - 3 9 ( 5 9 ) 5 3 - 3 7 ( 2 3 - 2 9 - 9 - 5 - 3 - 6 - 1 0 - 2 9 ) 4 5 ( 6 5 ) 5 5 - 5 6 - 4 6 ( 6 6 ) 3 8 ( 2 4 - 3 0 - 1 1 - 7 - 4 - 8 - 1 2 - 3 0 ) 5 4 - 4 0 ( 6 0 ) 2 6 - 5 0 - 4 2 ( 6 2 ) 2 8 ( 2 ) 5 2 - 4 4 ( 6 4 ) 3 6 ( 4 8 ) 2 2 - 3 2 - 1 5 - 1 9 - 3 4 ( 5 8 ) 2 0 - 1 6 - 3 2 / h 3 - 2 0 , 2 7 - 2 8 , 3 5 - 3 8 , 5 7 - 5 8 H , 2 1 - 2 6 , 4 7 - 4 8 H 2 , 1 - 2 H 3 , ( H , 4 9 , 6 1 ) ( H , 5 0 , 6 2 ) ( H , 5 1 , 6 3 ) ( H , 5 2 , 6 4 ) ( H , 5 3 , 5 9 ) ( H , 5 4 , 6 0 ) ( H , 5 5 , 6 5 ) ( H , 5 6 , 6 6 ) / t 2 7 - , 2 8 - , 3 5 + , 3 6 + , 3 7 + , 3 8 + / m 1 / s 1 |
| InChIKey |
D E S S E G D L R Y O P T J - V R A N X A L Z S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | OPRD1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
