General Information of the Compound
| Compound ID |
CP0498308
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28BrN3O3
|
||||||||||||||||||
| Molecular Weight |
498.421
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28BrN3O3/c1-31-23-10-6-5-9-22(23)29-15-13-28(14-16-29)12-11-27-25(30)20-17-21(26)18-7-3-4-8-19(18)24(20)32-2/h3-10,17H,11-16H2,1-2H3,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SQMUNKWOFRBGIX-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