General Information of the Compound
| Compound ID |
CP0578869
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-bromoanilino)-4-[(8-hydroxy-1,1-dioxo-2H-thiochromen-7-yl)amino]cyclobut-3-ene-1,2-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H13BrN2O5S
|
||||||||||||||||||
| Molecular Weight |
461.293
|
||||||||||||||||||
| Canonical SMILES |
Oc1c(Nc2c(Nc3ccccc3Br)c(=O)c2=O)ccc2C=CCS(=O)(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H13BrN2O5S/c20-11-5-1-2-6-12(11)21-14-15(18(25)17(14)24)22-13-8-7-10-4-3-9-28(26,27)19(10)16(13)23/h1-8,21-23H,9H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
GLEAYTXAUVJEEP-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 | |||||||||||||||||||
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