General Information of the Compound
| Compound ID |
CP0421289
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-cyano-5-ethyl-1-methyl-3-(4'-methyl-biphenyl-4-yl)-1H-pyrrole-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20N2O2
|
||||||||||||||||||
| Molecular Weight |
344.414
|
||||||||||||||||||
| Canonical SMILES |
CCc1c(C#N)c(c(C(O)=O)n1C)-c1ccc(cc1)-c1ccc(C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20N2O2/c1-4-19-18(13-23)20(21(22(25)26)24(19)3)17-11-9-16(10-12-17)15-7-5-14(2)6-8-15/h5-12H,4H2,1-3H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MOYFDFLARKLAIW-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: PT01829, Glutamate receptor 2
Protein ID: PT03593, Glutamate receptor 4