General Information of the Compound
| Compound ID |
CP0464799
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-bromophenylamino)-4-(4-chloro-2-hydroxyphenylamino)cyclobut-3-ene-1,2-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H10BrClN2O3
|
||||||||||||||||||
| Molecular Weight |
393.624
|
||||||||||||||||||
| Canonical SMILES |
Oc1cc(Cl)ccc1Nc1c(Nc2ccccc2Br)c(=O)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H10BrClN2O3/c17-9-3-1-2-4-10(9)19-13-14(16(23)15(13)22)20-11-6-5-8(18)7-12(11)21/h1-7,19-21H
Show/Hide
|
||||||||||||||||||
| InChIKey |
NJLHFLUTKOVSDF-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