General Information of the Compound
| Compound ID |
CP0724409
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Ethyl-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester
Show/Hide
|
||||||||||||||||||
| Formula |
C14H21NO4
|
||||||||||||||||||
| Molecular Weight |
267.325
|
||||||||||||||||||
| Canonical SMILES |
CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1CC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H21NO4/c1-6-10-11(13(16)18-5)8(3)15-9(4)12(10)14(17)19-7-2/h10,17H,6-7H2,1-5H3/b14-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
NNADEQPEAWEFMV-WYMLVPIESA-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 | |||||||||||||||||||
| 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