| Collection |
D4 : TTD |
| Chemical Name |
2-methylsulfanylestradiol 3,17-O,O-bis-sulfamate ( From PubChem : C H E M B L 2 1 9 2 7 3 ) |
| 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 |
| 476.63 g/mol |
2 |
9 |
5.9978 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 9 H 2 8 N 2 O 6 S 3 / c 1 - 1 9 - 8 - 7 - 1 2 - 1 3 ( 1 5 ( 1 9 ) 5 - 6 - 1 8 ( 1 9 ) 2 7 - 3 0 ( 2 1 , 2 4 ) 2 5 ) 4 - 3 - 1 1 - 9 - 1 6 ( 2 6 - 2 9 ( 2 0 , 2 2 ) 2 3 ) 1 7 ( 2 8 - 2 ) 1 0 - 1 4 ( 1 1 ) 1 2 / h 9 - 1 0 , 1 2 - 1 3 , 1 5 , 1 8 H , 3 - 8 H 2 , 1 - 2 H 3 , ( H 2 , 2 0 , 2 2 , 2 3 ) ( H 2 , 2 1 , 2 4 , 2 5 ) / t 1 2 - , 1 3 + , 1 5 - , 1 8 - , 1 9 - / m 0 / s 1 |
| InChIKey |
D W V U B F T W K R O F P D - S S T W W W I Q S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | STS | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
