General Information of the Compound
| Compound ID |
CP0674440
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID89650080
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H12N6OS2
|
||||||||||||||||||
| Molecular Weight |
368.447
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1ccc(-c2csc3ncnc(Sc4nnnn4C)c23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12N6OS2/c1-9(23)10-3-5-11(6-4-10)12-7-24-14-13(12)15(18-8-17-14)25-16-19-20-21-22(16)2/h3-8H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QKHLQNOWIOHATO-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