General Information of the Compound
| Compound ID |
CP0170630
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propoxy)benzyl)pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28ClFO5
|
||||||||||||||||||
| Molecular Weight |
486.967
|
||||||||||||||||||
| Canonical SMILES |
CCCC(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28ClFO5/c1-2-4-20(27(30)31)17-19-5-9-22(10-6-19)32-15-3-16-33-26-14-13-24(18-25(26)28)34-23-11-7-21(29)8-12-23/h5-14,18,20H,2-4,15-17H2,1H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MOIFGGMAUNAZIX-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