General Information of the Compound
| Compound ID |
CP0563787
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine
Show/Hide
|
||||||||||||||||||
| Formula |
C18H28N2O
|
||||||||||||||||||
| Molecular Weight |
288.435
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC2Cc3cc(ccc3O2)C(C)(C)C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H28N2O/c1-18(2,3)15-5-6-17-14(11-15)12-16(21-17)13-20-9-7-19(4)8-10-20/h5-6,11,16H,7-10,12-13H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJQKOPBWWWUEIU-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