Gene Set: D4 : CTD - Labetalol
| Collection |
D4 : CTD |
| Chemical Name |
Labetalol ( From PubChem : L A B E T A L O L ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Approved | Not | Not | Approved | Approved | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 328.405 g/mol |
4 |
5 |
3.2266 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 9 H 2 4 N 2 O 3 / c 1 - 1 3 ( 7 - 8 - 1 4 - 5 - 3 - 2 - 4 - 6 - 1 4 ) 2 1 - 1 2 - 1 8 ( 2 3 ) 1 5 - 9 - 1 0 - 1 7 ( 2 2 ) 1 6 ( 1 1 - 1 5 ) 1 9 ( 2 0 ) 2 4 / h 2 - 6 , 9 - 1 1 , 1 3 , 1 8 , 2 1 - 2 3 H , 7 - 8 , 1 2 H 2 , 1 H 3 , ( H 2 , 2 0 , 2 4 ) / t 1 3 - , 1 8 + / m 0 / s 1 |
| InChIKey |
S G U A F Y Q X F O L M H L - S C L B C K F N S A - N
|
| Links |
|
Gene
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35)
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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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