General Information of the Compound
| Compound ID |
CP0054415
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Methoxy-7H,8H,9H-1,4-thiazepino[7',6'-5,4]thiopheno[3,2-d]pyrimidin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H9N3O2S2
|
||||||||||||||||||
| Molecular Weight |
267.335
|
||||||||||||||||||
| Canonical SMILES |
COc1ncc2sc3c(SCCNC3=O)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H9N3O2S2/c1-15-10-12-4-5-6(13-10)7-8(17-5)9(14)11-2-3-16-7/h4H,2-3H2,1H3,(H,11,14)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FTCSRLCKGZJDCK-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