General Information of the Compound
| Compound ID |
CP0481774
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[[3- (trifluoromethyl)phenyl]methyl]- imidazol-4-yl]pyridine-4- carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H12F3N3O2
|
||||||||||||||||||
| Molecular Weight |
347.296
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccnc(c1)-c1cn(Cc2cccc(c2)C(F)(F)F)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H12F3N3O2/c18-17(19,20)13-3-1-2-11(6-13)8-23-9-15(22-10-23)14-7-12(16(24)25)4-5-21-14/h1-7,9-10H,8H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JQYLYLCPLZVGGQ-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