| Collection |
D4 : Boss |
| Chemical Name |
metergoline phenylmethyl ester ( From PubChem : M E T E R G O L I N E P H E N Y L M E T H Y L E S T E R ) |
| 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 |
| 403.517 g/mol |
1 |
5 |
4.3935 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 2 9 N 3 O 2 / c 1 - 2 7 - 1 4 - 1 8 ( 1 3 - 2 6 - 2 5 ( 2 9 ) 3 0 - 1 6 - 1 7 - 7 - 4 - 3 - 5 - 8 - 1 7 ) 1 1 - 2 1 - 2 0 - 9 - 6 - 1 0 - 2 2 - 2 4 ( 2 0 ) 1 9 ( 1 2 - 2 3 ( 2 1 ) 2 7 ) 1 5 - 2 8 ( 2 2 ) 2 / h 3 - 1 0 , 1 5 , 1 8 , 2 1 , 2 3 H , 1 1 - 1 4 , 1 6 H 2 , 1 - 2 H 3 , ( H , 2 6 , 2 9 ) / t 1 8 - , 2 1 + , 2 3 - / m 1 / s 1 |
| InChIKey |
W Z H J K E U H N J H D L S - R Z F N W Q H O S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | BOSS | Text Mining | HTR4 |  | | |
|
| Download gene sets |
gmt, text, Detailed text
|
