General Information of the Compound
| Compound ID |
CP0477141
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[(2-chlorophenyl)methyl]-5- (4-fluorophenyl)imidazol-4- yl]pyridine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H15ClFN3O2
|
||||||||||||||||||
| Molecular Weight |
407.832
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccnc(c1)-c1ncn(Cc2ccccc2Cl)c1-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H15ClFN3O2/c23-18-4-2-1-3-16(18)12-27-13-26-20(19-11-15(22(28)29)9-10-25-19)21(27)14-5-7-17(24)8-6-14/h1-11,13H,12H2,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VWDTXIZUIKCKPI-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: PT03776, Lysine-specific demethylase 2B
Protein ID: PT02979, Lysine-specific demethylase 4C