General Information of the Compound
| Compound ID |
CP0431340
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8618114, 1.2.22(2).HCl
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H19N5O2S
|
||||||||||||||||||
| Molecular Weight |
345.428
|
||||||||||||||||||
| Canonical SMILES |
CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H19N5O2S/c1-10-13(9-17)11(2)21-16(19-10)14(15(18-3)20-21)24(22,23)12-7-5-4-6-8-12/h4-8H,9,17H2,1-3H3,(H,18,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDPSXQAHCIOACT-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