Gene Set: D4 : CTD - Cimetidine
| Collection |
D4 : CTD |
| Chemical Name |
Cimetidine ( From PubChem : C I M E T I D I N 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 |
| 252.339 g/mol |
3 |
6 |
1.37918 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 0 H 1 6 N 6 S / c 1 - 8 - 9 ( 1 6 - 7 - 1 5 - 8 ) 5 - 1 7 - 4 - 3 - 1 3 - 1 0 ( 1 2 - 2 ) 1 4 - 6 - 1 1 / h 7 H , 3 - 5 H 2 , 1 - 2 H 3 , ( H , 1 5 , 1 6 ) ( H 2 , 1 2 , 1 3 , 1 4 ) |
| InChIKey |
A Q I X A K U U Q R K L N D - U H F F F A O Y S A - N
|
| Links |
|
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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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