General Information of the Compound
| Compound ID |
CP0424669
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]phenyl] acetate
Show/Hide
|
||||||||||||||||||
| Formula |
C20H16FNO2
|
||||||||||||||||||
| Molecular Weight |
321.351
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Oc1ccc(cc1)C(c1ccc(F)cc1)c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16FNO2/c1-14(23)24-18-11-7-16(8-12-18)20(19-4-2-3-13-22-19)15-5-9-17(21)10-6-15/h2-13,20H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZKCHFZVPZWTMY-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 | |||||||||||||||||||
| 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