Gene Set: D4 : CTD - batimastat
| Collection |
D4 : CTD |
| Chemical Name |
batimastat ( From PubChem : B A T I M A S T A 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 |
| 477.64 g/mol |
4 |
9 |
4.2703 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 3 1 N 3 O 4 S 2 / c 1 - 1 5 ( 2 ) 1 2 - 1 7 ( 1 8 ( 2 2 ( 2 8 ) 2 6 - 3 0 ) 1 4 - 3 2 - 2 0 - 1 0 - 7 - 1 1 - 3 1 - 2 0 ) 2 1 ( 2 7 ) 2 5 - 1 9 ( 2 3 ( 2 9 ) 2 4 - 3 ) 1 3 - 1 6 - 8 - 5 - 4 - 6 - 9 - 1 6 / h 4 - 1 1 , 1 5 , 1 7 - 1 9 , 3 0 H , 1 2 - 1 4 H 2 , 1 - 3 H 3 , ( H , 2 4 , 2 9 ) ( H , 2 5 , 2 7 ) ( H , 2 6 , 2 8 ) / t 1 7 - , 1 8 + , 1 9 + / m 1 / s 1 |
| InChIKey |
X F I L P E O L D I K J H X - Q Y Z O E R E B S A - N
|
| Links |
|
Gene
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27)
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Division of Medical Oncology , Department of Medicine
University of Colorado School of Medicine
Aurora, CO 80045, USA
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