General Information of the Compound
| Compound ID |
CP0536041
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[1-[2-(2,5-dichlorophenoxy)ethyl]piperidin-4-yl]methyl]-3-fluorobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23Cl2FN2O2
|
||||||||||||||||||
| Molecular Weight |
425.331
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(c1)C(=O)NCC1CCN(CCOc2cc(Cl)ccc2Cl)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23Cl2FN2O2/c22-17-4-5-19(23)20(13-17)28-11-10-26-8-6-15(7-9-26)14-25-21(27)16-2-1-3-18(24)12-16/h1-5,12-13,15H,6-11,14H2,(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QIFRQMPXCDDULY-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