General Information of the Compound
| Compound ID |
CP0483875
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-prop-2-enylpiperazine
Show/Hide
|
||||||||||||||||||
| Formula |
C16H22N2O
|
||||||||||||||||||
| Molecular Weight |
258.365
|
||||||||||||||||||
| Canonical SMILES |
C=CCN1CCN(CC2Cc3ccccc3O2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H22N2O/c1-2-7-17-8-10-18(11-9-17)13-15-12-14-5-3-4-6-16(14)19-15/h2-6,15H,1,7-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
HSARQPUYOMNEIJ-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 | |||||||||||||||||||
| 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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor