General Information of the Compound
| Compound ID |
CP0447252
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-[(4E)-4-hydroxyimino-2-thieno[3,2-c]pyridin-6-ylchromen-6-yl]oxyazetidin-1-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17N3O4S
|
||||||||||||||||||
| Molecular Weight |
407.451
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CC(C1)Oc1ccc2oc(c\c(=N/O)c2c1)-c1cc2sccc2cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17N3O4S/c1-12(25)24-10-15(11-24)27-14-2-3-19-16(6-14)17(23-26)7-20(28-19)18-8-21-13(9-22-18)4-5-29-21/h2-9,15,26H,10-11H2,1H3/b23-17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJIWFSOUXDVTMG-HAVVHWLPSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound