| Collection |
D4 : TTD |
| Chemical Name |
16-(4-cyano-benzylidene)-estradiol ( From PubChem : S U R E C N 1 2 3 7 9 7 4 0 ) |
| 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 |
| 385.498 g/mol |
2 |
3 |
5.17438 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 6 H 2 7 N O 2 / c 1 - 2 6 - 1 1 - 1 0 - 2 2 - 2 1 - 9 - 7 - 2 0 ( 2 8 ) 1 3 - 1 8 ( 2 1 ) 6 - 8 - 2 3 ( 2 2 ) 2 4 ( 2 6 ) 1 4 - 1 9 ( 2 5 ( 2 6 ) 2 9 ) 1 2 - 1 6 - 2 - 4 - 1 7 ( 1 5 - 2 7 ) 5 - 3 - 1 6 / h 2 - 5 , 7 , 9 , 1 2 - 1 3 , 2 2 - 2 5 , 2 8 - 2 9 H , 6 , 8 , 1 0 - 1 1 , 1 4 H 2 , 1 H 3 / b 1 9 - 1 2 + / t 2 2 - , 2 3 + , 2 4 - , 2 5 + , 2 6 + / m 1 / s 1 |
| InChIKey |
R M E M B A H S F F E O K G - F T S X G C B T 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
|
