General Information of the Compound
| Compound ID |
CP0846920
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-Dimethylamino-phenyl)-1-[4-(1-ethyl-propyl)-piperazin-1-yl]-ethanone dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H33Cl2N3O
|
||||||||||||||||||
| Molecular Weight |
390.399
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)N1CCN(C(=O)Cc2ccc(N(C)C)cc2)CC1.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H31N3O.2ClH/c1-5-17(6-2)21-11-13-22(14-12-21)19(23)15-16-7-9-18(10-8-16)20(3)4;;/h7-10,17H,5-6,11-15H2,1-4H3;2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
RBSGESMHTSDNGS-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