General Information of the Compound
| Compound ID |
CP0518243
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-Benzo[1,3]dioxol-5-yl-3-benzyl-2-hydroxy-5-oxo-2,5-dihydro-furan-2-yl)-benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H18O7
|
||||||||||||||||||
| Molecular Weight |
430.412
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(cc1)C1(O)OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H18O7/c26-23(27)16-6-9-18(10-7-16)25(29)19(12-15-4-2-1-3-5-15)22(24(28)32-25)17-8-11-20-21(13-17)31-14-30-20/h1-11,13,29H,12,14H2,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JMKSBTHBIHNXTG-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
Protein ID: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor