General Information of the Compound
| Compound ID |
CP0444997
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
({2-[4'-methoxy-3-(thiophene-2-carbonyl)-biphenyl-4-yloxy]-ethyl}-methyl-amino)-acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23NO5S
|
||||||||||||||||||
| Molecular Weight |
425.506
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1ccc(OCCN(C)CC(O)=O)c(c1)C(=O)c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23NO5S/c1-24(15-22(25)26)11-12-29-20-10-7-17(16-5-8-18(28-2)9-6-16)14-19(20)23(27)21-4-3-13-30-21/h3-10,13-14H,11-12,15H2,1-2H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZTFQXSORDIFQW-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