General Information of the Compound
| Compound ID |
CP0574692
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
diethyl 4-[3-ethoxy-4-(3-piperidin-1-ylpropoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H42N2O6
|
||||||||||||||||||
| Molecular Weight |
514.663
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCN2CCCCC2)c(OCC)c1)C(=O)OCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H42N2O6/c1-6-34-24-19-22(13-14-23(24)37-18-12-17-31-15-10-9-11-16-31)27-25(28(32)35-7-2)20(4)30-21(5)26(27)29(33)36-8-3/h13-14,19,27,30H,6-12,15-18H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XYZQDRSCZKMDED-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