| Collection |
D4 : Boss |
| Chemical Name |
dianil blue h3g ( From PubChem : T R Y P A N B L U E F R E E A C I D ) |
| 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 |
| 872.878 g/mol |
8 |
20 |
9.046 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 4 H 2 8 N 6 O 1 4 S 4 / c 1 - 1 5 - 7 - 1 7 ( 3 - 5 - 2 5 ( 1 5 ) 3 7 - 3 9 - 3 1 - 2 7 ( 5 7 ( 4 9 , 5 0 ) 5 1 ) 1 1 - 1 9 - 9 - 2 1 ( 5 5 ( 4 3 , 4 4 ) 4 5 ) 1 3 - 2 3 ( 3 5 ) 2 9 ( 1 9 ) 3 3 ( 3 1 ) 4 1 ) 1 8 - 4 - 6 - 2 6 ( 1 6 ( 2 ) 8 - 1 8 ) 3 8 - 4 0 - 3 2 - 2 8 ( 5 8 ( 5 2 , 5 3 ) 5 4 ) 1 2 - 2 0 - 1 0 - 2 2 ( 5 6 ( 4 6 , 4 7 ) 4 8 ) 1 4 - 2 4 ( 3 6 ) 3 0 ( 2 0 ) 3 4 ( 3 2 ) 4 2 / h 3 - 1 4 , 3 7 - 3 8 H , 3 5 - 3 6 H 2 , 1 - 2 H 3 , ( H , 4 3 , 4 4 , 4 5 ) ( H , 4 6 , 4 7 , 4 8 ) ( H , 4 9 , 5 0 , 5 1 ) ( H , 5 2 , 5 3 , 5 4 ) / b 3 9 - 3 1 + , 4 0 - 3 2 + |
| InChIKey |
R U A Z V L Y S J W B V R B - U T K M U Y H O S A - N
|
| Links |
|
Gene
(95 /
95)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
