General Information of the Compound
| Compound ID |
CP0452432
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-(4-ethoxyphenoxy)-2-methoxy-N-methylpropan-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H34ClN3O3
|
||||||||||||||||||
| Molecular Weight |
472.029
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(OCC(CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34ClN3O3/c1-6-32-22-11-13-23(14-12-22)33-18-24(31-5)16-29(4)17-25-19(2)28-30(20(25)3)15-21-9-7-8-10-26(21)27/h7-14,24H,6,15-18H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XUSHRWKGYJCOBK-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