General Information of the Compound
| Compound ID |
CP0262528
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
diethyl 2,6-dimethyl-4-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H40N2O5
|
||||||||||||||||||
| Molecular Weight |
484.637
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCCCN2CCCC2)cc1)C(=O)OCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H40N2O5/c1-5-33-27(31)24-20(3)29-21(4)25(28(32)34-6-2)26(24)22-12-14-23(15-13-22)35-19-11-7-8-16-30-17-9-10-18-30/h12-15,26,29H,5-11,16-19H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FMYWPHYXKMHHNZ-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