General Information of the Compound
| Compound ID |
CP0485410
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-4-(2,3-dihydro-1-benzofuran-5-yloxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H17ClN2O3
|
||||||||||||||||||
| Molecular Weight |
404.853
|
||||||||||||||||||
| Canonical SMILES |
Clc1cnn(Cc2cccc3ccccc23)c(=O)c1Oc1ccc2OCCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H17ClN2O3/c24-20-13-25-26(14-17-6-3-5-15-4-1-2-7-19(15)17)23(27)22(20)29-18-8-9-21-16(12-18)10-11-28-21/h1-9,12-13H,10-11,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OQRGVGSGEBDKBU-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