General Information of the Compound
| Compound ID |
CP0372185
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-hydroxy-6-nitrophenylamino)-4-(phenylamino)cyclobut-3-ene-1,2-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H11N3O5
|
||||||||||||||||||
| Molecular Weight |
325.28
|
||||||||||||||||||
| Canonical SMILES |
Oc1cccc(c1Nc1c(Nc2ccccc2)c(=O)c1=O)[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H11N3O5/c20-11-8-4-7-10(19(23)24)12(11)18-14-13(15(21)16(14)22)17-9-5-2-1-3-6-9/h1-8,17-18,20H
Show/Hide
|
||||||||||||||||||
| InChIKey |
DEQVCEOQNMGQBN-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