General Information of the Compound
| Compound ID |
CP0861280
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3-fluorobenzyl)5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21FN2O6
|
||||||||||||||||||
| Molecular Weight |
440.427
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2cccc(F)c2)C1c1cccc([N+](=O)[O-])c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21FN2O6/c1-13-19(22(27)31-3)21(16-7-5-9-18(11-16)26(29)30)20(14(2)25-13)23(28)32-12-15-6-4-8-17(24)10-15/h4-11,21,25H,12H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JFLATWYOHSKCDI-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
Protein ID: PT06040, Voltage-dependent L-type calcium channel subunit alpha-1C
Protein ID: PT06039, Voltage-dependent L-type calcium channel subunit alpha-1D