General Information of the Compound
| Compound ID |
CP0452500
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[2-(2-methoxypyrimidin-4-yl)ethynyl]phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H14N2O3
|
||||||||||||||||||
| Molecular Weight |
282.299
|
||||||||||||||||||
| Canonical SMILES |
COc1nccc(n1)C#Cc1ccc(CCC(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14N2O3/c1-21-16-17-11-10-14(18-16)8-6-12-2-4-13(5-3-12)7-9-15(19)20/h2-5,10-11H,7,9H2,1H3,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QYLXOZFONJBCMI-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