General Information of the Compound
| Compound ID |
CP0553856
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[[(3,4-dichlorobenzoyl)amino]methyl]phenyl]methyl-dimethyl-(oxan-4-yl)azanium
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27Cl2N2O2+
|
||||||||||||||||||
| Molecular Weight |
422.376
|
||||||||||||||||||
| Canonical SMILES |
C[N+](C)(Cc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26Cl2N2O2/c1-26(2,19-9-11-28-12-10-19)15-17-5-3-16(4-6-17)14-25-22(27)18-7-8-20(23)21(24)13-18/h3-8,13,19H,9-12,14-15H2,1-2H3/p+1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IVNWIJDYWPYEER-UHFFFAOYSA-O
|
||||||||||||||||||
| 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