General Information of the Compound
| Compound ID |
CP0182886
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(Benzyl-methyl-amino)-methyl]-7-(2-methoxy-benzyl)-2-(4-methoxy-phenyl)-4-oxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H34N2O5S
|
||||||||||||||||||
| Molecular Weight |
582.722
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H34N2O5S/c1-5-41-34(38)28-22-36(20-25-13-9-10-14-29(25)40-4)33-30(31(28)37)27(21-35(2)19-23-11-7-6-8-12-23)32(42-33)24-15-17-26(39-3)18-16-24/h6-18,22H,5,19-21H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVSIJAAHSSGDRJ-UHFFFAOYSA-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