General Information of the Compound
| Compound ID |
CP0455358
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Cyclopropylmethyl-5-(4-methanesulfonyl-phenyl)-4-phenyl-2H-pyridazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20N2O3S
|
||||||||||||||||||
| Molecular Weight |
380.469
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cnn(CC2CC2)c(=O)c1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N2O3S/c1-27(25,26)18-11-9-16(10-12-18)19-13-22-23(14-15-7-8-15)21(24)20(19)17-5-3-2-4-6-17/h2-6,9-13,15H,7-8,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JLROYHWJEFEGOR-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