| Collection |
D4 : CTD |
| Chemical Name |
Tacrolimus ( From PubChem : T A C R O L I M U S M O N O H Y D R A T E ) |
| 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 |
| 822.033 g/mol |
4 |
14 |
4.5126 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 4 H 6 9 N O 1 2 . H 2 O / c 1 - 1 0 - 1 3 - 3 1 - 1 9 - 2 5 ( 2 ) 1 8 - 2 6 ( 3 ) 2 0 - 3 7 ( 5 4 - 8 ) 4 0 - 3 8 ( 5 5 - 9 ) 2 2 - 2 8 ( 5 ) 4 4 ( 5 2 , 5 7 - 4 0 ) 4 1 ( 4 9 ) 4 2 ( 5 0 ) 4 5 - 1 7 - 1 2 - 1 1 - 1 4 - 3 2 ( 4 5 ) 4 3 ( 5 1 ) 5 6 - 3 9 ( 2 9 ( 6 ) 3 4 ( 4 7 ) 2 4 - 3 5 ( 3 1 ) 4 8 ) 2 7 ( 4 ) 2 1 - 3 0 - 1 5 - 1 6 - 3 3 ( 4 6 ) 3 6 ( 2 3 - 3 0 ) 5 3 - 7 ; / h 1 0 , 1 9 , 2 1 , 2 6 , 2 8 - 3 4 , 3 6 - 4 0 , 4 6 - 4 7 , 5 2 H , 1 , 1 1 - 1 8 , 2 0 , 2 2 - 2 4 H 2 , 2 - 9 H 3 ; 1 H 2 / b 2 5 - 1 9 + , 2 7 - 2 1 + ; / t 2 6 - , 2 8 + , 2 9 + , 3 0 - , 3 1 + , 3 2 ? , 3 3 + , 3 4 - , 3 6 + , 3 7 - , 3 8 - , 3 9 + , 4 0 ? , 4 4 + ; / m 0 . / s 1 |
| InChIKey |
N W J Q L Q G Q Z S I B A F - R K U I X G J O S A - N
|
| Links |
|
Gene
(58 /
153)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
