General Information of the Compound
| Compound ID |
CP0478031
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266869, 1
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20N4O4S
|
||||||||||||||||||
| Molecular Weight |
436.493
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cc(cnc1N)C(=O)N=S(C)(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20N4O4S/c1-14-9-10-30-19(14)22(28)25-18-6-4-5-15(11-18)7-8-16-12-17(13-24-20(16)23)21(27)26-31(2,3)29/h4-6,9-13H,1-3H3,(H2,23,24)(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WEWNFYSPKIFAFJ-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