General Information of the Compound
| Compound ID |
CP0374678
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Chloro-N-[4-(2-chloro-phenyl)-piperazin-1-ylmethyl]-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19Cl2N3O
|
||||||||||||||||||
| Molecular Weight |
364.276
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19Cl2N3O/c19-15-5-3-4-14(12-15)18(24)21-13-22-8-10-23(11-9-22)17-7-2-1-6-16(17)20/h1-7,12H,8-11,13H2,(H,21,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OFDQLTVLCXEIAI-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