General Information of the Compound
| Compound ID |
CP0443040
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
prop-2-enyl 6-(4-chlorophenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20ClNO2
|
||||||||||||||||||
| Molecular Weight |
365.86
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(C(C=C(N1)c1ccc(Cl)cc1)c1ccccc1)C(=O)OCC=C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20ClNO2/c1-3-13-26-22(25)21-15(2)24-20(17-9-11-18(23)12-10-17)14-19(21)16-7-5-4-6-8-16/h3-12,14,19,24H,1,13H2,2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FORZUEOUMKFCCC-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