General Information of the Compound
| Compound ID |
CP0508997
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8916553, 163
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H19N3O3S
|
||||||||||||||||||
| Molecular Weight |
321.402
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(c(OC)c1)-c1cncnc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H19N3O3S/c1-4-7-22(19,20)18-12-5-6-13(15(8-12)21-3)14-9-16-10-17-11(14)2/h5-6,8-10,18H,4,7H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXSHMAQBGHQKIN-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