General Information of the Compound
| Compound ID |
CP0420400
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[5-[[3-(3-chloropyridin-4-yl)phenyl]methoxy]thiophen-2-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16ClNO3S
|
||||||||||||||||||
| Molecular Weight |
373.861
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCc1ccc(OCc2cccc(c2)-c2ccncc2Cl)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16ClNO3S/c20-17-11-21-9-8-16(17)14-3-1-2-13(10-14)12-24-19-7-5-15(25-19)4-6-18(22)23/h1-3,5,7-11H,4,6,12H2,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WPFOCLXEFAWBHD-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