General Information of the Compound
| Compound ID |
CP0444652
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,4-dichloro-N-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidin-4-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31Cl2N3O2
|
||||||||||||||||||
| Molecular Weight |
464.437
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)c(Cl)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31Cl2N3O2/c1-28(2)12-3-15-31-21-7-4-18(5-8-21)17-29-13-10-20(11-14-29)27-24(30)19-6-9-22(25)23(26)16-19/h4-9,16,20H,3,10-15,17H2,1-2H3,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AXLDTHFWOBTJAN-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