General Information of the Compound
| Compound ID |
CP0426151
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-ethoxyphenyl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21N3O3S2
|
||||||||||||||||||
| Molecular Weight |
439.562
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(NC(=O)CSc2nc3CCSc3c(=O)n2-c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21N3O3S2/c1-2-28-17-10-8-15(9-11-17)23-19(26)14-30-22-24-18-12-13-29-20(18)21(27)25(22)16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PJPALZRVAGSBAL-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