General Information of the Compound
| Compound ID |
CP0488493
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-chloro-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]aniline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26ClN3
|
||||||||||||||||||
| Molecular Weight |
343.902
|
||||||||||||||||||
| Canonical SMILES |
CN(CCCN1CCN(CC1)c1ccccc1)c1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26ClN3/c1-22(20-10-5-7-18(21)17-20)11-6-12-23-13-15-24(16-14-23)19-8-3-2-4-9-19/h2-5,7-10,17H,6,11-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZOVMPAFDMDCLD-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