Gene Set: D4 : CTD - PD 123319
| Collection |
D4 : CTD |
| Chemical Name |
PD 123319 ( From PubChem : 1 - [ [ 4 - ( D I M E T H Y L A M I N O ) - 3 - M E T H Y L P H E N Y L ] M E T H Y L ] - 5 - ( 2 , 2 - D I P H E N Y L A C E T Y L ) - 6 , 7 - D I H Y D R O - 4 H - I M I D A Z O [ 4 , 5 - C ] P Y R I D I N E - 6 - C A R B O X Y L I C A C I D ) |
| 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 |
| 508.611 g/mol |
1 |
7 |
4.4137 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 1 H 3 2 N 4 O 3 / c 1 - 2 1 - 1 6 - 2 2 ( 1 4 - 1 5 - 2 6 ( 2 1 ) 3 3 ( 2 ) 3 ) 1 8 - 3 4 - 2 0 - 3 2 - 2 5 - 1 9 - 3 5 ( 2 8 ( 3 1 ( 3 7 ) 3 8 ) 1 7 - 2 7 ( 2 5 ) 3 4 ) 3 0 ( 3 6 ) 2 9 ( 2 3 - 1 0 - 6 - 4 - 7 - 1 1 - 2 3 ) 2 4 - 1 2 - 8 - 5 - 9 - 1 3 - 2 4 / h 4 - 1 6 , 2 0 , 2 8 - 2 9 H , 1 7 - 1 9 H 2 , 1 - 3 H 3 , ( H , 3 7 , 3 8 ) / t 2 8 - / m 0 / s 1 |
| InChIKey |
Y S T V F D A K L D M Y C R - N D E P H W F R S A - N
|
| Links |
|
Gene
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18)
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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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