General Information of the Compound
| Compound ID |
CP0505077
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[2-(4-chlorophenyl)-4-phenylphenoxy]ethyl-methylamino]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22ClNO3
|
||||||||||||||||||
| Molecular Weight |
395.886
|
||||||||||||||||||
| Canonical SMILES |
CN(CCOc1ccc(cc1-c1ccc(Cl)cc1)-c1ccccc1)CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22ClNO3/c1-25(16-23(26)27)13-14-28-22-12-9-19(17-5-3-2-4-6-17)15-21(22)18-7-10-20(24)11-8-18/h2-12,15H,13-14,16H2,1H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SDIMKXHMSNBQDR-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
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2