| Collection |
D4 : Boss |
| Chemical Name |
sdz psc 833 ( From PubChem : V A L S P O D A 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 |
| 1214.62 g/mol |
4 |
23 |
4.6037 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 6 3 H 1 1 1 N 1 1 O 1 2 / c 1 - 2 6 - 2 7 - 2 8 - 4 1 ( 1 6 ) 5 3 ( 7 6 ) 5 2 - 5 7 ( 8 0 ) 6 7 - 4 9 ( 3 8 ( 1 0 ) 1 1 ) 6 1 ( 8 4 ) 6 8 ( 1 9 ) 3 3 - 4 8 ( 7 5 ) 6 9 ( 2 0 ) 4 4 ( 2 9 - 3 4 ( 2 ) 3 ) 5 6 ( 7 9 ) 6 6 - 5 0 ( 3 9 ( 1 2 ) 1 3 ) 6 2 ( 8 5 ) 7 0 ( 2 1 ) 4 5 ( 3 0 - 3 5 ( 4 ) 5 ) 5 5 ( 7 8 ) 6 4 - 4 2 ( 1 7 ) 5 4 ( 7 7 ) 6 5 - 4 3 ( 1 8 ) 5 8 ( 8 1 ) 7 1 ( 2 2 ) 4 6 ( 3 1 - 3 6 ( 6 ) 7 ) 5 9 ( 8 2 ) 7 2 ( 2 3 ) 4 7 ( 3 2 - 3 7 ( 8 ) 9 ) 6 0 ( 8 3 ) 7 3 ( 2 4 ) 5 1 ( 4 0 ( 1 4 ) 1 5 ) 6 3 ( 8 6 ) 7 4 ( 5 2 ) 2 5 / h 2 6 - 2 7 , 3 4 - 4 7 , 4 9 - 5 2 H , 2 8 - 3 3 H 2 , 1 - 2 5 H 3 , ( H , 6 4 , 7 8 ) ( H , 6 5 , 7 7 ) ( H , 6 6 , 7 9 ) ( H , 6 7 , 8 0 ) / b 2 7 - 2 6 + / t 4 1 - , 4 2 + , 4 3 - , 4 4 + , 4 5 + , 4 6 + , 4 7 + , 4 9 + , 5 0 + , 5 1 + , 5 2 + / m 1 / s 1 |
| InChIKey |
Y J D Y D F N K C B A N T M - Q C W C S K B G S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | BOSS | Text Mining | CDT1 |  | | |
|
| Download gene sets |
gmt, text, Detailed text
|
