Gene Set: D1 - Approved - S I T A G L I P T I N P H O S P H A T E M O N O H Y D R A T E
| Collection |
D1 : Approved |
| Chemical Name |
S I T A G L I P T I N P H O S P H A T E M O N O H Y D R A T E |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Approved | Not | Not | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 523.324 g/mol |
5 |
11 |
1.6618 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 6 H 1 5 F 6 N 5 O . H 3 O 4 P . H 2 O / c 1 7 - 1 0 - 6 - 1 2 ( 1 9 ) 1 1 ( 1 8 ) 4 - 8 ( 1 0 ) 3 - 9 ( 2 3 ) 5 - 1 4 ( 2 8 ) 2 6 - 1 - 2 - 2 7 - 1 3 ( 7 - 2 6 ) 2 4 - 2 5 - 1 5 ( 2 7 ) 1 6 ( 2 0 , 2 1 ) 2 2 ; 1 - 5 ( 2 , 3 ) 4 ; / h 4 , 6 , 9 H , 1 - 3 , 5 , 7 , 2 3 H 2 ; ( H 3 , 1 , 2 , 3 , 4 ) ; 1 H 2 / t 9 - ; ; / m 1 . . / s 1 |
| InChIKey |
G Q P Y T J V D P Q T B Q C - K L Q Y N R Q A S A - N
|
| Links |
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Gene
(1 /
1)
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gmt, text, Detailed text
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