General Information of the Compound
| Compound ID |
CP0264542
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-propoxycarbonyl-3,4-dihydro-2H-pyridine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32N2O6
|
||||||||||||||||||
| Molecular Weight |
504.583
|
||||||||||||||||||
| Canonical SMILES |
CCCOC(=O)N1CCC(C(O)=O)C(Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)=C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32N2O6/c1-3-15-36-29(34)31-14-12-25(28(32)33)23(19-31)17-21-8-7-11-24(18-21)35-16-13-26-20(2)37-27(30-26)22-9-5-4-6-10-22/h4-11,18-19,25H,3,12-17H2,1-2H3,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PEQYJQCGWJYJFU-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