General Information of the Compound
| Compound ID |
CP0096106
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4,6-Diphenethoxypyrimidin-2-ylthio)butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N2O4S
|
||||||||||||||||||
| Molecular Weight |
438.549
|
||||||||||||||||||
| Canonical SMILES |
CCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N2O4S/c1-2-20(23(27)28)31-24-25-21(29-15-13-18-9-5-3-6-10-18)17-22(26-24)30-16-14-19-11-7-4-8-12-19/h3-12,17,20H,2,13-16H2,1H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMTINFIXKPYCIG-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