General Information of the Compound
| Compound ID |
CP0554967
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(3-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30ClN3O2
|
||||||||||||||||||
| Molecular Weight |
427.976
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(CC1)N1CCC(C1)NC(=O)c1ccc(COc2cccc(Cl)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30ClN3O2/c1-27-12-10-22(11-13-27)28-14-9-21(16-28)26-24(29)19-7-5-18(6-8-19)17-30-23-4-2-3-20(25)15-23/h2-8,15,21-22H,9-14,16-17H2,1H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUSQDYXRHUJYHG-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