General Information of the Compound
| Compound ID |
CP0485807
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(4-methylphenyl)-2-(methylthio)thiazolo[4'',5'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H12N4OS3
|
||||||||||||||||||
| Molecular Weight |
396.522
|
||||||||||||||||||
| Canonical SMILES |
CSc1nc2c(cnc3sc4c(ncn(-c5ccc(C)cc5)c4=O)c23)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H12N4OS3/c1-9-3-5-10(6-4-9)22-8-20-14-12-13-11(25-18(21-13)24-2)7-19-16(12)26-15(14)17(22)23/h3-8H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MIHOPTCNVPPWSH-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