General Information of the Compound
| Compound ID |
CP0384755
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3-carboxypropoxy)-8-[(E)-2-[4-(4-phenoxybutoxy)phenyl]ethenyl]quinoxaline-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H30N2O7
|
||||||||||||||||||
| Molecular Weight |
542.588
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCCOc1nc2cccc(\C=C\c3ccc(OCCCCOc4ccccc4)cc3)c2nc1C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H30N2O7/c34-27(35)12-7-21-40-30-29(31(36)37)33-28-23(8-6-11-26(28)32-30)16-13-22-14-17-25(18-15-22)39-20-5-4-19-38-24-9-2-1-3-10-24/h1-3,6,8-11,13-18H,4-5,7,12,19-21H2,(H,34,35)(H,36,37)/b16-13+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WNCBAUIHJHOYFZ-DTQAZKPQSA-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
Protein ID: PT01800, Cysteinyl leukotriene receptor 1
Protein ID: PT03053, Cysteinyl leukotriene receptor 2