General Information of the Compound
| Compound ID |
CP0403632
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Benzyl-5-(4-methanesulfonyl-phenyl)-4-(6-methyl-pyridin-3-yl)-2H-pyridazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21N3O3S
|
||||||||||||||||||
| Molecular Weight |
431.517
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cn1)-c1c(cnn(Cc2ccccc2)c1=O)-c1ccc(cc1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21N3O3S/c1-17-8-9-20(14-25-17)23-22(19-10-12-21(13-11-19)31(2,29)30)15-26-27(24(23)28)16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HWLOTFLJLWOMHZ-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