General Information of the Compound
| Compound ID |
CP0513034
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-{[3-(3-Methylphenoxy)benzyl]oxy}phenyl)propanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22O4
|
||||||||||||||||||
| Molecular Weight |
362.425
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(Oc2cccc(COc3ccc(CCC(O)=O)cc3)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22O4/c1-17-4-2-6-21(14-17)27-22-7-3-5-19(15-22)16-26-20-11-8-18(9-12-20)10-13-23(24)25/h2-9,11-12,14-15H,10,13,16H2,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QVFXJBNJZWNSGZ-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