General Information of the Compound
| Compound ID |
CP0445728
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[2-[(2- methoxyphenyl)methylamino]- ethyl]imidazol-4-yl]pyridine-4- carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N4O3
|
||||||||||||||||||
| Molecular Weight |
352.394
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1CNCCn1cnc(c1)-c1cc(ccn1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N4O3/c1-26-18-5-3-2-4-15(18)11-20-8-9-23-12-17(22-13-23)16-10-14(19(24)25)6-7-21-16/h2-7,10,12-13,20H,8-9,11H2,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HNCSOLMMKKZZJS-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
Protein ID: PT02613, Lysine-specific demethylase 5A
Protein ID: PT03382, Lysine-specific demethylase 5B