General Information of the Compound
| Compound ID |
CP0477139
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-(1,2,3,4- tetrahydronaphthalen-1- ylmethyl)imidadzol-4-yl]pyridine- 4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19N3O2
|
||||||||||||||||||
| Molecular Weight |
333.391
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccnc(c1)-c1cn(CC2CCCc3ccccc23)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19N3O2/c24-20(25)15-8-9-21-18(10-15)19-12-23(13-22-19)11-16-6-3-5-14-4-1-2-7-17(14)16/h1-2,4,7-10,12-13,16H,3,5-6,11H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XHNIEVIJHDHWDQ-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