General Information of the Compound
| Compound ID |
CP0377371
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(4-Chloro-benzyl)-[1,4'']bipiperidinyl-1''-yl]-2-o-tolyl-ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33ClN2O
|
||||||||||||||||||
| Molecular Weight |
425.016
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2ccc(Cl)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33ClN2O/c1-20-4-2-3-5-23(20)19-26(30)29-16-12-25(13-17-29)28-14-10-22(11-15-28)18-21-6-8-24(27)9-7-21/h2-9,22,25H,10-19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LSQRQZWLLFOMJN-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