General Information of the Compound
| Compound ID |
CP0205884
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-dibenzothiophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H12N6S3
|
||||||||||||||||||
| Molecular Weight |
432.559
|
||||||||||||||||||
| Canonical SMILES |
Cn1nnnc1Sc1ncnc2scc(-c3cccc4c5ccccc5sc34)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H12N6S3/c1-26-20(23-24-25-26)29-19-16-14(9-27-18(16)21-10-22-19)13-7-4-6-12-11-5-2-3-8-15(11)28-17(12)13/h2-10H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DEVPNNKKGPZYFO-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
Protein ID: PT06109, Geminin
Protein ID: PT04727, Huntingtin
Protein ID: PT06124, Paired box protein Pax-8