General Information of the Compound
| Compound ID |
CP0504359
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[5-[4-(2-ethoxyphenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34N4O2
|
||||||||||||||||||
| Molecular Weight |
446.595
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccccc1N1CCN(CCCCCn2cnc(cc2=O)-c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34N4O2/c1-2-33-26-14-8-7-13-25(26)30-19-17-29(18-20-30)15-9-4-10-16-31-22-28-24(21-27(31)32)23-11-5-3-6-12-23/h3,5-8,11-14,21-22H,2,4,9-10,15-20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DLXNDWPBEFAPHF-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7