General Information of the Compound
| Compound ID |
CP0490412
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-bromophenylamino)-4-(2-hydroxyphenylamino)cyclobut-3-ene-1,2-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H11BrN2O3
|
||||||||||||||||||
| Molecular Weight |
359.179
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccccc1Nc1c(Nc2ccccc2Br)c(=O)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H11BrN2O3/c17-9-5-1-2-6-10(9)18-13-14(16(22)15(13)21)19-11-7-3-4-8-12(11)20/h1-8,18-20H
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZZXNCHAPCVRYFY-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