| Collection |
D4 : CTD |
| Chemical Name |
Taurolithocholic Acid ( From PubChem : T A U R O L I T H O C H O L 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 |
| 483.704 g/mol |
3 |
6 |
5.8982 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 6 H 4 5 N O 5 S / c 1 - 1 7 ( 4 - 9 - 2 4 ( 2 9 ) 2 7 - 1 4 - 1 5 - 3 3 ( 3 0 , 3 1 ) 3 2 ) 2 1 - 7 - 8 - 2 2 - 2 0 - 6 - 5 - 1 8 - 1 6 - 1 9 ( 2 8 ) 1 0 - 1 2 - 2 5 ( 1 8 , 2 ) 2 3 ( 2 0 ) 1 1 - 1 3 - 2 6 ( 2 1 , 2 2 ) 3 / h 1 7 - 2 3 , 2 8 H , 4 - 1 6 H 2 , 1 - 3 H 3 , ( H , 2 7 , 2 9 ) ( H , 3 0 , 3 1 , 3 2 ) / t 1 7 - , 1 8 - , 1 9 - , 2 0 + , 2 1 - , 2 2 + , 2 3 + , 2 5 + , 2 6 - / m 1 / s 1 |
| InChIKey |
Q B Y U N V O Y X H F V K C - G B U R M N Q M S A - N
|
| Links |
|
Gene
(5 /
13)
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|
|
| Download gene sets |
gmt, text, Detailed text
|
