General Information of the Compound
| Compound ID |
CP0470023
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 7-[(3,4-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14Cl2O5
|
||||||||||||||||||
| Molecular Weight |
393.222
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2oc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14Cl2O5/c1-2-24-18(22)14-8-12-4-5-13(9-17(12)26-19(14)23)25-10-11-3-6-15(20)16(21)7-11/h3-9H,2,10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PNMRHZKVPAGIBX-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