| Collection |
D4 : TTD |
| Chemical Name |
16beta-cyano-estradiol ( From PubChem : 1 6 B E T A - C Y A N O - E S T R A D I O L ) |
| 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 |
| 297.391 g/mol |
2 |
3 |
3.35888 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 9 H 2 3 N O 2 / c 1 - 1 9 - 7 - 6 - 1 5 - 1 4 - 5 - 3 - 1 3 ( 2 1 ) 8 - 1 1 ( 1 4 ) 2 - 4 - 1 6 ( 1 5 ) 1 7 ( 1 9 ) 9 - 1 2 ( 1 0 - 2 0 ) 1 8 ( 1 9 ) 2 2 / h 3 , 5 , 8 , 1 2 , 1 5 - 1 8 , 2 1 - 2 2 H , 2 , 4 , 6 - 7 , 9 H 2 , 1 H 3 / t 1 2 - , 1 5 - , 1 6 + , 1 7 - , 1 8 + , 1 9 + / m 1 / s 1 |
| InChIKey |
I W V Y O P U B S X D P S W - Y S V X C W O H S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | HSD17B1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
