General Information of the Compound
| Compound ID |
CP0471121
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Benzyl-4-isopropoxy-5-(4-methanesulfonyl-phenyl)-2H-pyridazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N2O4S
|
||||||||||||||||||
| Molecular Weight |
398.484
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1c(cnn(Cc2ccccc2)c1=O)-c1ccc(cc1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N2O4S/c1-15(2)27-20-19(17-9-11-18(12-10-17)28(3,25)26)13-22-23(21(20)24)14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CMCUIBJDJUGWQY-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