General Information of the Compound
| Compound ID |
CP0404241
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Benzo[1,3]dioxol-5-yl-4-benzyl-5-(4-chloro-phenyl)-5-hydroxy-5H-furan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H17ClO5
|
||||||||||||||||||
| Molecular Weight |
420.848
|
||||||||||||||||||
| Canonical SMILES |
OC1(OC(=O)C(=C1Cc1ccccc1)c1ccc2OCOc2c1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H17ClO5/c25-18-9-7-17(8-10-18)24(27)19(12-15-4-2-1-3-5-15)22(23(26)30-24)16-6-11-20-21(13-16)29-14-28-20/h1-11,13,27H,12,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
HIOIBSDPMJWBMG-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