General Information of the Compound
| Compound ID |
CP0942178
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-Chloro-phenyl)-4-(4-cyclooctyl-piperazin-1-yl)-butane-1,4-dione hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H32Cl2N2O2
|
||||||||||||||||||
| Molecular Weight |
427.416
|
||||||||||||||||||
| Canonical SMILES |
Cl.O=C(CCC(=O)N1CCN(C2CCCCCCC2)CC1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H31ClN2O2.ClH/c23-19-10-8-18(9-11-19)21(26)12-13-22(27)25-16-14-24(15-17-25)20-6-4-2-1-3-5-7-20;/h8-11,20H,1-7,12-17H2;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
LWUIIYTWNSOUGT-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