General Information of the Compound
| Compound ID |
CP0393947
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-cyclopropyl-3-[5-[[3-(2,6-dimethylphenyl)phenyl]methoxy]thiophen-2-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26O3S
|
||||||||||||||||||
| Molecular Weight |
406.547
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(C)c1-c1cccc(COc2ccc(s2)C(CC(O)=O)C2CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26O3S/c1-16-5-3-6-17(2)25(16)20-8-4-7-18(13-20)15-28-24-12-11-22(29-24)21(14-23(26)27)19-9-10-19/h3-8,11-13,19,21H,9-10,14-15H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQEVYRYSOCPUIK-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