General Information of the Compound
| Compound ID |
CP0545346
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[6-[(3,4-dichlorophenyl)carbamoyl]-3-phosphonoquinoxalin-2-yl]phosphonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H11Cl2N3O7P2
|
||||||||||||||||||
| Molecular Weight |
478.121
|
||||||||||||||||||
| Canonical SMILES |
OP(O)(=O)c1nc2ccc(cc2nc1P(O)(O)=O)C(=O)Nc1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H11Cl2N3O7P2/c16-9-3-2-8(6-10(9)17)18-13(21)7-1-4-11-12(5-7)20-15(29(25,26)27)14(19-11)28(22,23)24/h1-6H,(H,18,21)(H2,22,23,24)(H2,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZFYHQFNAFQQBTC-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