General Information of the Compound
| Compound ID |
CP0437040
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-bromo-N-[4-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]butyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30BrN3O3
|
||||||||||||||||||
| Molecular Weight |
476.415
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OC)c(c1)N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30BrN3O3/c1-29-20-9-10-22(30-2)21(17-20)27-15-13-26(14-16-27)12-4-3-11-25-23(28)18-5-7-19(24)8-6-18/h5-10,17H,3-4,11-16H2,1-2H3,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XYWCAOFTBSFDJW-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