General Information of the Compound
| Compound ID |
CP0450485
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-benzyl-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15ClN2O3
|
||||||||||||||||||
| Molecular Weight |
342.782
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3)c2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15ClN2O3/c1-23-14-7-9-15(10-8-14)24-17-16(19)11-20-21(18(17)22)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IEFNLYQXMGMFMN-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