General Information of the Compound
| Compound ID |
CP0526706
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-c]quinoline-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27N3O4S
|
||||||||||||||||||
| Molecular Weight |
489.597
|
||||||||||||||||||
| Canonical SMILES |
COc1c(sc2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21)C(=O)NCCN1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27N3O4S/c1-34-23-22-24(35-25(23)26(32)28-13-16-29-14-7-8-15-29)19-11-5-6-12-20(19)30(27(22)33)17-21(31)18-9-3-2-4-10-18/h2-6,9-12H,7-8,13-17H2,1H3,(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJZWMYPQWAPKKV-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