General Information of the Compound
| Compound ID |
CP0375080
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-4-(2'-pyrimidyl)piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34N4O2
|
||||||||||||||||||
| Molecular Weight |
446.595
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCCCN2CCN(CC2)c2ncccn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34N4O2/c1-32-25-10-6-8-23(22-25)12-13-24-9-2-3-11-26(24)33-21-5-4-16-30-17-19-31(20-18-30)27-28-14-7-15-29-27/h2-3,6-11,14-15,22H,4-5,12-13,16-21H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBVKGDXJIDQBBH-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