General Information of the Compound
| Compound ID |
CP0427576
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2-methoxyphenyl)methyl]-N,N-dimethyl-3-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32N2O3S
|
||||||||||||||||||
| Molecular Weight |
428.598
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1CC(CN1CCC2(CC1)OCCc1ccsc21)C(=O)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32N2O3S/c1-25(2)23(27)20(16-19-6-4-5-7-21(19)28-3)17-26-12-10-24(11-13-26)22-18(8-14-29-24)9-15-30-22/h4-7,9,15,20H,8,10-14,16-17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
TXGNMJQHEWURGN-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