General Information of the Compound
| Compound ID |
CP0464267
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[2-fluoro-3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26FN3O3
|
||||||||||||||||||
| Molecular Weight |
447.51
|
||||||||||||||||||
| Canonical SMILES |
Fc1c(CNC(=O)c2ccc3OCOc3c2)cccc1-c1cccc(CN2CCNCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26FN3O3/c27-25-21(15-29-26(31)20-7-8-23-24(14-20)33-17-32-23)5-2-6-22(25)19-4-1-3-18(13-19)16-30-11-9-28-10-12-30/h1-8,13-14,28H,9-12,15-17H2,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UUUSUGOZBNBBQR-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