| Collection |
D4 : TTD |
| Chemical Name |
SCH-205831 ( From PubChem : S C H - 2 0 5 8 3 1 ) |
| 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 |
| 455.512 g/mol |
0 |
3 |
6.7846 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 7 H 2 8 F 3 N O 2 / c 1 - 1 6 - 2 5 - 2 3 ( 2 2 - 8 - 3 - 2 - 5 - 1 8 ( 2 2 ) 1 4 - 2 4 ( 2 5 ) 2 6 ( 3 2 ) 3 3 - 1 6 ) 1 2 - 1 1 - 2 1 - 1 0 - 9 - 1 9 ( 1 5 - 3 1 - 2 1 ) 1 7 - 6 - 4 - 7 - 2 0 ( 1 3 - 1 7 ) 2 7 ( 2 8 , 2 9 ) 3 0 / h 4 , 6 - 7 , 9 - 1 3 , 1 5 - 1 6 , 1 8 , 2 2 - 2 5 H , 2 - 3 , 5 , 8 , 1 4 H 2 , 1 H 3 / b 1 2 - 1 1 + / t 1 6 - , 1 8 + , 2 2 - , 2 3 + , 2 4 - , 2 5 + / m 1 / s 1 |
| InChIKey |
P Q L B J V P Z X N P V O S - H L B W O J L B S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | F2R | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
