General Information of the Compound
| Compound ID |
CP0558191
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-3-[3,4-dichloro-5-(6-oxo-1H-pyridin-3-yl)phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H12Cl2N2O3
|
||||||||||||||||||
| Molecular Weight |
327.167
|
||||||||||||||||||
| Canonical SMILES |
NC(Cc1cc(Cl)c(Cl)c(c1)-c1ccc(O)nc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H12Cl2N2O3/c15-10-4-7(5-11(17)14(20)21)3-9(13(10)16)8-1-2-12(19)18-6-8/h1-4,6,11H,5,17H2,(H,18,19)(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YAOLWMXTZFNMCH-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