General Information of the Compound
| Compound ID |
CP0393367
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-[(6-chloro-1,2,3,4- tetrahydronaphthalen-1- yl)oxy]pyrazol-1-yl]pyridine-4- carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16ClN3O3
|
||||||||||||||||||
| Molecular Weight |
369.808
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccnc(c1)-n1nccc1OC1CCCc2cc(Cl)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16ClN3O3/c20-14-4-5-15-12(10-14)2-1-3-16(15)26-18-7-9-22-23(18)17-11-13(19(24)25)6-8-21-17/h4-11,16H,1-3H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MYEIDQDVSWLKKZ-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: PT02979, Lysine-specific demethylase 4C
Protein ID: PT02613, Lysine-specific demethylase 5A
Protein ID: PT03382, Lysine-specific demethylase 5B