General Information of the Compound
| Compound ID |
CP0535708
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-(1-methyl-cyclopropylmethyl)-2H-pyridazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21FN2O3S
|
||||||||||||||||||
| Molecular Weight |
412.486
|
||||||||||||||||||
| Canonical SMILES |
CC1(Cn2ncc(-c3ccc(cc3)S(C)(=O)=O)c(-c3ccc(F)cc3)c2=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21FN2O3S/c1-22(11-12-22)14-25-21(26)20(16-3-7-17(23)8-4-16)19(13-24-25)15-5-9-18(10-6-15)29(2,27)28/h3-10,13H,11-12,14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YOZCXTOUYGNYMT-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