General Information of the Compound
| Compound ID |
CP0439863
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 2-chloro-6-[[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxy]pyridine-4-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18Cl2N2O5S
|
||||||||||||||||||
| Molecular Weight |
493.368
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cc(Cl)nc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18Cl2N2O5S/c1-30-22(27)15-11-20(24)25-21(12-15)31-17-7-4-14-3-2-10-26(19(14)13-17)32(28,29)18-8-5-16(23)6-9-18/h4-9,11-13H,2-3,10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IEWSFRDDCHSYIP-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