General Information of the Compound
| Compound ID |
CP0745889
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-[4-(2,2,2-trichloro-ethoxycarbonyl)-benzyl] ester
Show/Hide
|
||||||||||||||||||
| Formula |
C34H28Cl3NO6
|
||||||||||||||||||
| Molecular Weight |
652.958
|
||||||||||||||||||
| Canonical SMILES |
CCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2ccc(C(=O)OCC(Cl)(Cl)Cl)cc2)C1C#Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H28Cl3NO6/c1-3-42-32(40)28-22(2)38-30(25-12-8-5-9-13-25)29(27(28)19-16-23-10-6-4-7-11-23)33(41)43-20-24-14-17-26(18-15-24)31(39)44-21-34(35,36)37/h4-15,17-18,27,40H,3,20-21H2,1-2H3/b32-28+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICBYHXVUZSOVQZ-VEWQFJOQSA-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