General Information of the Compound
| Compound ID |
CP0487070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-(4-cyclobutylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H34N4O2
|
||||||||||||||||||
| Molecular Weight |
410.562
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1CCC2(C1)CCN(CC2)C(=O)c1ccccc1)N1CCN(CC1)C1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H34N4O2/c29-22(20-5-2-1-3-6-20)26-12-9-24(10-13-26)11-14-28(19-24)23(30)27-17-15-25(16-18-27)21-7-4-8-21/h1-3,5-6,21H,4,7-19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZDZIZPHZHKMTAB-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: PT01194, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2