General Information of the Compound
| Compound ID |
CP0536734
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-[4-fluoro-3-(2,2,2- trifluoroethoxy)phenyl]-1- methylimidazol-4-yl]-4-(2H- tetrazol-5-yl)pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H13F4N7O
|
||||||||||||||||||
| Molecular Weight |
419.342
|
||||||||||||||||||
| Canonical SMILES |
Cn1cnc(c1-c1ccc(F)c(OCC(F)(F)F)c1)-c1cc(ccn1)-c1nn[nH]n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H13F4N7O/c1-29-9-24-15(13-6-11(4-5-23-13)17-25-27-28-26-17)16(29)10-2-3-12(19)14(7-10)30-8-18(20,21)22/h2-7,9H,8H2,1H3,(H,25,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFGZOXOAJXAEAX-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