General Information of the Compound
| Compound ID |
CP0448823
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-2-[(2-ethylphenyl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19ClN2O3
|
||||||||||||||||||
| Molecular Weight |
370.836
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccccc1Cn1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19ClN2O3/c1-3-14-6-4-5-7-15(14)13-23-20(24)19(18(21)12-22-23)26-17-10-8-16(25-2)9-11-17/h4-12H,3,13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HWVAHJIPOKOITB-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