Gene Set: D4 : TTD - Vestipitant
| Collection |
D4 : TTD |
| Chemical Name |
Vestipitant ( From PubChem : V E S T I P I T A N T ) |
| 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 |
| 491.445 g/mol |
1 |
4 |
6.1977 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 2 4 F 7 N 3 O / c 1 - 1 3 - 8 - 1 8 ( 2 4 ) 4 - 5 - 1 9 ( 1 3 ) 2 0 - 1 2 - 3 1 - 6 - 7 - 3 3 ( 2 0 ) 2 1 ( 3 4 ) 3 2 ( 3 ) 1 4 ( 2 ) 1 5 - 9 - 1 6 ( 2 2 ( 2 5 , 2 6 ) 2 7 ) 1 1 - 1 7 ( 1 0 - 1 5 ) 2 3 ( 2 8 , 2 9 ) 3 0 / h 4 - 5 , 8 - 1 1 , 1 4 , 2 0 , 3 1 H , 6 - 7 , 1 2 H 2 , 1 - 3 H 3 / t 1 4 - , 2 0 - / m 1 / s 1 |
| InChIKey |
S B B Y B X S F W O L D D G - J L T O F O A X S A - N
|
| Links |
|
Gene
(1 /
5)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
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Tan Lab , Mail Stop 8117
12801 East 17th Avenue
Division of Medical Oncology , Department of Medicine
University of Colorado School of Medicine
Aurora, CO 80045, USA
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