General Information of the Compound
| Compound ID |
CP0541605
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-((4-methylpiperazin-1-yl)methyl)piperidin-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33BrClN3O2
|
||||||||||||||||||
| Molecular Weight |
522.915
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33BrClN3O2/c1-28-12-14-30(15-13-28)19-25(31)8-10-29(11-9-25)17-21-16-22(26)4-7-24(21)32-18-20-2-5-23(27)6-3-20/h2-7,16,31H,8-15,17-19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IXZZXWDPIMSXSX-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