General Information of the Compound
| Compound ID |
CP0449595
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)pyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31N3O2
|
||||||||||||||||||
| Molecular Weight |
441.575
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ncccc1Oc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N3O2/c32-27(26-25(12-6-17-29-26)33-23-9-2-1-3-10-23)30-18-7-19-31-20-15-28(16-21-31)14-13-22-8-4-5-11-24(22)28/h1-6,8-12,17H,7,13-16,18-21H2,(H,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZEWITEBDAOYIQC-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