General Information of the Compound
| Compound ID |
CP0575525
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(3,4-dimethoxyphenyl)methyl]-5-[2-(3-methoxypropylsulfonyl)-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24F3N3O6S
|
||||||||||||||||||
| Molecular Weight |
527.521
|
||||||||||||||||||
| Canonical SMILES |
COCCCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(=O)n(Cc2ccc(OC)c(OC)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24F3N3O6S/c1-33-9-4-10-36(31,32)22-27-17(12-20(28-22)23(24,25)26)16-6-8-21(30)29(14-16)13-15-5-7-18(34-2)19(11-15)35-3/h5-8,11-12,14H,4,9-10,13H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JXTULDWPHWMJGG-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