General Information of the Compound
| Compound ID |
CP0575524
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(3,4-dimethoxyphenyl)methyl]-5-[2-(4-oxo-4-piperidin-1-ylbutyl)sulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31F3N4O6S
|
||||||||||||||||||
| Molecular Weight |
608.639
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cn2cc(ccc2=O)-c2cc(nc(n2)S(=O)(=O)CCCC(=O)N2CCCCC2)C(F)(F)F)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31F3N4O6S/c1-40-22-10-8-19(15-23(22)41-2)17-35-18-20(9-11-26(35)37)21-16-24(28(29,30)31)33-27(32-21)42(38,39)14-6-7-25(36)34-12-4-3-5-13-34/h8-11,15-16,18H,3-7,12-14,17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JDXPTRAYQSWQFM-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