General Information of the Compound
| Compound ID |
CP0490909
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31N5O4
|
||||||||||||||||||
| Molecular Weight |
477.565
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)C(=O)Nc1ccc(OCCN2CCN(CC2)C(C)=O)c(c1)-c1ccnn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31N5O4/c1-19(32)31-13-11-30(12-14-31)15-16-35-25-8-7-21(18-23(25)24-9-10-27-29(24)2)28-26(33)20-5-4-6-22(17-20)34-3/h4-10,17-18H,11-16H2,1-3H3,(H,28,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CMBGAERCAUPMJB-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C