General Information of the Compound
| Compound ID |
CP0444102
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[6-[[3-(2,5-dimethylpyrrol-1-yl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23NO4
|
||||||||||||||||||
| Molecular Weight |
377.44
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C)n1-c1cccc(COc2ccc3C(CC(O)=O)COc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23NO4/c1-15-6-7-16(2)24(15)19-5-3-4-17(10-19)13-27-20-8-9-21-18(11-23(25)26)14-28-22(21)12-20/h3-10,12,18H,11,13-14H2,1-2H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFJCIWZRIDQETP-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