General Information of the Compound
| Compound ID |
CP0501630
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-amino-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26ClN3O
|
||||||||||||||||||
| Molecular Weight |
371.912
|
||||||||||||||||||
| Canonical SMILES |
NCCCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26ClN3O/c22-19-10-8-18(9-11-19)21(17-5-2-1-3-6-17)25-15-13-24(14-16-25)20(26)7-4-12-23/h1-3,5-6,8-11,21H,4,7,12-16,23H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MPEXHDSIFAAJAL-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