General Information of the Compound
| Compound ID |
CP0443202
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(6-fluoropyridin-3-yl)methyl]-3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33FN4O3
|
||||||||||||||||||
| Molecular Weight |
492.595
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33FN4O3/c1-35-24-9-7-23(8-10-24)25-4-2-3-5-26(25)33-15-13-32(14-16-33)17-19-36-18-12-28(34)31-21-22-6-11-27(29)30-20-22/h2-11,20H,12-19,21H2,1H3,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDEUQQCHGQKBNS-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