| Collection |
D4 : TTD |
| Chemical Name |
Calcipotriol ( From PubChem : C A L C I P O T R I O L ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Approved | Not | Not | Approved | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 412.605 g/mol |
3 |
3 |
5.0906 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 7 H 4 0 O 3 / c 1 - 1 7 ( 6 - 1 3 - 2 5 ( 2 9 ) 2 0 - 8 - 9 - 2 0 ) 2 3 - 1 1 - 1 2 - 2 4 - 1 9 ( 5 - 4 - 1 4 - 2 7 ( 2 3 , 2 4 ) 3 ) 7 - 1 0 - 2 1 - 1 5 - 2 2 ( 2 8 ) 1 6 - 2 6 ( 3 0 ) 1 8 ( 2 1 ) 2 / h 6 - 7 , 1 0 , 1 3 , 1 7 , 2 0 , 2 2 - 2 6 , 2 8 - 3 0 H , 2 , 4 - 5 , 8 - 9 , 1 1 - 1 2 , 1 4 - 1 6 H 2 , 1 , 3 H 3 / b 1 3 - 6 + , 1 9 - 7 + , 2 1 - 1 0 - / t 1 7 - , 2 2 - , 2 3 - , 2 4 + , 2 5 - , 2 6 + , 2 7 - / m 1 / s 1 |
| InChIKey |
L W Q Q L N N N I P Y S N X - U R O S T W A Q S A - N
|
| Links |
|
Gene
(7 /
14)
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| Download gene sets |
gmt, text, Detailed text
|
