General Information of the Compound
| Compound ID |
CP0045173
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyridin-3-yl)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N2O4
|
||||||||||||||||||
| Molecular Weight |
366.417
|
||||||||||||||||||
| Canonical SMILES |
CC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N2O4/c1-14(21(24)25)12-16-8-9-19(22-13-16)26-11-10-18-15(2)27-20(23-18)17-6-4-3-5-7-17/h3-9,13-14H,10-12H2,1-2H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XKLUVXAVDPISGS-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