General Information of the Compound
| Compound ID |
CP0504892
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1-{2-[2-(4-Bromo-2-methyl-phenoxymethyl)-benzo[b]thiophen-3-yl]-ethyl}-piperidin-4-yl)-dimethyl-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31BrN2OS
|
||||||||||||||||||
| Molecular Weight |
487.507
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C)sc3ccccc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31BrN2OS/c1-18-16-19(26)8-9-23(18)29-17-25-22(21-6-4-5-7-24(21)30-25)12-15-28-13-10-20(11-14-28)27(2)3/h4-9,16,20H,10-15,17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VIVUAJAVSCRXCV-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