General Information of the Compound
| Compound ID |
CP0700391
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID85146202
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H9N7S2
|
||||||||||||||||||
| Molecular Weight |
315.387
|
||||||||||||||||||
| Canonical SMILES |
Cn1nnnc1Sc1ncnc2scc(-c3ccc[nH]3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H9N7S2/c1-19-12(16-17-18-19)21-11-9-7(8-3-2-4-13-8)5-20-10(9)14-6-15-11/h2-6,13H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBDCQPFFYLAJJK-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