General Information of the Compound
| Compound ID |
CP0847532
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-Chloro-phenyl)-4-[4-(1,1-dimethyl-prop-2-ynyl)-piperazin-1-yl]-butane-1,4-dione hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24Cl2N2O2
|
||||||||||||||||||
| Molecular Weight |
383.319
|
||||||||||||||||||
| Canonical SMILES |
C#CC(C)(C)N1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23ClN2O2.ClH/c1-4-19(2,3)22-13-11-21(12-14-22)18(24)10-9-17(23)15-5-7-16(20)8-6-15;/h1,5-8H,9-14H2,2-3H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
RNKMGMDCLOSCDL-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