General Information of the Compound
| Compound ID |
CP0378917
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]naphthalene-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27Cl2N3O
|
||||||||||||||||||
| Molecular Weight |
456.417
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(N2CCN(CCCCNC(=O)c3cccc4ccccc34)CC2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27Cl2N3O/c26-22-11-6-12-23(24(22)27)30-17-15-29(16-18-30)14-4-3-13-28-25(31)21-10-5-8-19-7-1-2-9-20(19)21/h1-2,5-12H,3-4,13-18H2,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FWWZEVQZVDGPGJ-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