General Information of the Compound
| Compound ID |
CP0825703
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-(3-iodo-benzyl) ester
Show/Hide
|
||||||||||||||||||
| Formula |
C31H26INO4
|
||||||||||||||||||
| Molecular Weight |
603.456
|
||||||||||||||||||
| Canonical SMILES |
CCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2cccc(I)c2)C1C#Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H26INO4/c1-3-36-30(34)27-21(2)33-29(24-14-8-5-9-15-24)28(26(27)18-17-22-11-6-4-7-12-22)31(35)37-20-23-13-10-16-25(32)19-23/h4-16,19,26,34H,3,20H2,1-2H3/b30-27+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DRFFKZSHHHRKIZ-KDJFERLWSA-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