General Information of the Compound
| Compound ID |
CP0517975
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-4-(4-methoxyphenoxy)-2-(quinolin-5-ylmethyl)pyridazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16ClN3O3
|
||||||||||||||||||
| Molecular Weight |
393.83
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(Cc3cccc4ncccc34)c2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16ClN3O3/c1-27-15-7-9-16(10-8-15)28-20-18(22)12-24-25(21(20)26)13-14-4-2-6-19-17(14)5-3-11-23-19/h2-12H,13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NBCKYAGICNXDRV-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