General Information of the Compound
| Compound ID |
CP0561546
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19FN2O3S
|
||||||||||||||||||
| Molecular Weight |
362.426
|
||||||||||||||||||
| Canonical SMILES |
COCCn1c2scc(C)c2c(=O)n(CCc2ccccc2F)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19FN2O3S/c1-12-11-25-17-15(12)16(22)20(18(23)21(17)9-10-24-2)8-7-13-5-3-4-6-14(13)19/h3-6,11H,7-10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NFUOQNBBRRZTBV-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