| Collection |
D4 : TTD |
| Chemical Name |
N-isopropyl estradiol-16-carboxamide ( From PubChem : S U R E C N 1 2 3 7 9 4 8 7 ) |
| 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 |
| 357.486 g/mol |
3 |
4 |
3.7508 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 3 1 N O 3 / c 1 - 1 2 ( 2 ) 2 3 - 2 1 ( 2 6 ) 1 8 - 1 1 - 1 9 - 1 7 - 6 - 4 - 1 3 - 1 0 - 1 4 ( 2 4 ) 5 - 7 - 1 5 ( 1 3 ) 1 6 ( 1 7 ) 8 - 9 - 2 2 ( 1 9 , 3 ) 2 0 ( 1 8 ) 2 5 / h 5 , 7 , 1 0 , 1 2 , 1 6 - 2 0 , 2 4 - 2 5 H , 4 , 6 , 8 - 9 , 1 1 H 2 , 1 - 3 H 3 , ( H , 2 3 , 2 6 ) / t 1 6 - , 1 7 + , 1 8 - , 1 9 - , 2 0 + , 2 2 + / m 1 / s 1 |
| InChIKey |
M I X Z P W B C E X V A Q M - O W C L A A J J 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
|
