General Information of the Compound
| Compound ID |
CP0491641
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(4-phenylphenyl)furan-2-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H34ClN3O3
|
||||||||||||||||||
| Molecular Weight |
556.106
|
||||||||||||||||||
| Canonical SMILES |
Clc1cc(CN2CCN(CC2)C(=O)c2ccc(o2)-c2ccc(cc2)-c2ccccc2)ccc1OC1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H34ClN3O3/c34-29-22-24(6-11-31(29)39-28-14-16-35-17-15-28)23-36-18-20-37(21-19-36)33(38)32-13-12-30(40-32)27-9-7-26(8-10-27)25-4-2-1-3-5-25/h1-13,22,28,35H,14-21,23H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
FPUWRQDGHJVSMN-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