General Information of the Compound
| Compound ID |
CP0403979
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(4-Methyl-naphthalen-1-yl)-phenyl]-6-morpholin-4-yl-thiopyran-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23NO2S
|
||||||||||||||||||
| Molecular Weight |
413.542
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(-c2ccc(cc2)-c2cc(=O)cc(s2)N2CCOCC2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23NO2S/c1-18-6-11-23(24-5-3-2-4-22(18)24)19-7-9-20(10-8-19)25-16-21(28)17-26(30-25)27-12-14-29-15-13-27/h2-11,16-17H,12-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJKXTEXQFFTJQR-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