General Information of the Compound
| Compound ID |
CP0427642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1-Butylpiperidin-4-yl)methyl 4-Amino-3-(2-fluoroethoxy)-benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H29FN2O3
|
||||||||||||||||||
| Molecular Weight |
352.45
|
||||||||||||||||||
| Canonical SMILES |
CCCCN1CCC(COC(=O)c2ccc(N)c(OCCF)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H29FN2O3/c1-2-3-9-22-10-6-15(7-11-22)14-25-19(23)16-4-5-17(21)18(13-16)24-12-8-20/h4-5,13,15H,2-3,6-12,14,21H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BKNYFIGOAVIZIM-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