Gene Set: D4 : CTD - Hemin
| Collection |
D4 : CTD |
| Chemical Name |
Hemin ( From PubChem : F E R R I H E M E C H L O R I D E ) |
| 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 |
| 616.487 g/mol |
2 |
6 |
2.8828 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 4 H 3 4 N 4 O 4 . F e / c 1 - 7 - 2 1 - 1 7 ( 3 ) 2 5 - 1 3 - 2 6 - 1 9 ( 5 ) 2 3 ( 9 - 1 1 - 3 3 ( 3 9 ) 4 0 ) 3 1 ( 3 7 - 2 6 ) 1 6 - 3 2 - 2 4 ( 1 0 - 1 2 - 3 4 ( 4 1 ) 4 2 ) 2 0 ( 6 ) 2 8 ( 3 8 - 3 2 ) 1 5 - 3 0 - 2 2 ( 8 - 2 ) 1 8 ( 4 ) 2 7 ( 3 6 - 3 0 ) 1 4 - 2 9 ( 2 1 ) 3 5 - 2 5 ; / h 7 - 8 , 1 3 - 1 6 H , 1 - 2 , 9 - 1 2 H 2 , 3 - 6 H 3 , ( H 4 , 3 5 , 3 6 , 3 7 , 3 8 , 3 9 , 4 0 , 4 1 , 4 2 ) ; / q ; + 3 / p - 2 / b 2 5 - 1 3 - , 2 6 - 1 3 - , 2 7 - 1 4 - , 2 8 - 1 5 - , 2 9 - 1 4 - , 3 0 - 1 5 - , 3 1 - 1 6 - , 3 2 - 1 6 - ; |
| InChIKey |
G G I D W J Q W C U J Y R Y - R G G A H W M A S A - L
|
| Links |
|
Gene
(46 /
142)
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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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