General Information of the Compound
| Compound ID |
CP0431728
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 2-chloro-6-[[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxy]pyridine-4-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20Cl2N2O5S
|
||||||||||||||||||
| Molecular Weight |
507.395
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1cc(Cl)nc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20Cl2N2O5S/c1-2-31-23(28)16-12-21(25)26-22(13-16)32-18-8-5-15-4-3-11-27(20(15)14-18)33(29,30)19-9-6-17(24)7-10-19/h5-10,12-14H,2-4,11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UOKGAEQHSGMXAU-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