General Information of the Compound
| Compound ID |
CP0550059
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21NO4
|
||||||||||||||||||
| Molecular Weight |
375.424
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)-c1ccc(CCC(=O)Nc2ccccc2C(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21NO4/c1-28-19-6-4-5-18(15-19)17-12-9-16(10-13-17)11-14-22(25)24-21-8-3-2-7-20(21)23(26)27/h2-10,12-13,15H,11,14H2,1H3,(H,24,25)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OLHYEMWEPZTOPS-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