General Information of the Compound
| Compound ID |
CP0523489
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-4-(4-methoxyphenoxy)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H12ClF3N2O3
|
||||||||||||||||||
| Molecular Weight |
396.752
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(-c3ccc(cc3)C(F)(F)F)c2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H12ClF3N2O3/c1-26-13-6-8-14(9-7-13)27-16-15(19)10-23-24(17(16)25)12-4-2-11(3-5-12)18(20,21)22/h2-10H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CVBXDQFVFYFZFP-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