General Information of the Compound
| Compound ID |
CP0549244
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-cyclobutyl-6-(1-ethylsulfonylpiperidin-4-yl)oxyspiro[3,4-dihydrochromene-2,4'-piperidine]
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H36N2O4S
|
||||||||||||||||||
| Molecular Weight |
448.629
|
||||||||||||||||||
| Canonical SMILES |
CCS(=O)(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H36N2O4S/c1-2-31(27,28)26-14-9-21(10-15-26)29-22-6-7-23-19(18-22)8-11-24(30-23)12-16-25(17-13-24)20-4-3-5-20/h6-7,18,20-21H,2-5,8-17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ALERLARPNYHRKG-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: PT01173, Histamine H3 receptor