General Information of the Compound
| Compound ID |
CP0398985
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloranyl-2-(4-ethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17ClN2O3
|
||||||||||||||||||
| Molecular Weight |
356.809
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17ClN2O3/c1-3-13-4-6-14(7-5-13)22-19(23)18(17(20)12-21-22)25-16-10-8-15(24-2)9-11-16/h4-12H,3H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RCOIZIFMFNASTI-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