General Information of the Compound
| Compound ID |
CP0257422
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methoxy-2-methyl-1-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]pyridin-4-one
Show/Hide
|
||||||||||||||||||
| Formula |
C20H27N3O4S
|
||||||||||||||||||
| Molecular Weight |
405.52
|
||||||||||||||||||
| Canonical SMILES |
COc1c(C)n(ccc1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27N3O4S/c1-15(2)21-11-13-22(14-12-21)28(25,26)18-7-5-17(6-8-18)23-10-9-19(24)20(27-4)16(23)3/h5-10,15H,11-14H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DJIWIRHXMAVHNJ-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 | |||||||||||||||||||
| 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