General Information of the Compound
| Compound ID |
CP0373421
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-1-((5-Bromobenzo[b]thiophen-3-yl)methylene)-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H10BrNO2S2
|
||||||||||||||||||
| Molecular Weight |
404.31
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc2\C(OC(=O)c2c(=S)[nH]1)=C\c1csc2ccc(Br)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H10BrNO2S2/c1-8-4-12-13(21-17(20)15(12)16(22)19-8)5-9-7-23-14-3-2-10(18)6-11(9)14/h2-7H,1H3,(H,19,22)/b13-5-
Show/Hide
|
||||||||||||||||||
| InChIKey |
BWFYBFMBRQAONB-ACAGNQJTSA-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