General Information of the Compound
| Compound ID |
CP0256605
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzyl-5-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H30N2O4
|
||||||||||||||||||
| Molecular Weight |
494.591
|
||||||||||||||||||
| Canonical SMILES |
Cc1oc(nc1CCOc1cccc(c1)C1=C(CCN(Cc2ccccc2)C1)C(O)=O)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H30N2O4/c1-22-29(32-30(37-22)24-11-6-3-7-12-24)16-18-36-26-14-8-13-25(19-26)28-21-33(17-15-27(28)31(34)35)20-23-9-4-2-5-10-23/h2-14,19H,15-18,20-21H2,1H3,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RYWMZXARDFYYQX-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