General Information of the Compound
| Compound ID |
CP0513842
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-amino-4-(4-methoxyphenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21N3O3
|
||||||||||||||||||
| Molecular Weight |
351.406
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Oc2c(N)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21N3O3/c1-13(2)14-4-6-15(7-5-14)23-20(24)19(18(21)12-22-23)26-17-10-8-16(25-3)9-11-17/h4-13H,21H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HKEBBOQWTGVCIH-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