General Information of the Compound
| Compound ID |
CP0573751
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[5-bromo-2-(2-hydroxyethoxy)-4-phenylmethoxybenzoyl]-3,4-bis(3,4-dimethoxyphenyl)pyrrole-2,5-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H32BrNO10
|
||||||||||||||||||
| Molecular Weight |
718.553
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)C1=C(C(=O)N(C(=O)c2cc(Br)c(OCc3ccccc3)cc2OCCO)C1=O)c1ccc(OC)c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H32BrNO10/c1-43-26-12-10-22(16-30(26)45-3)32-33(23-11-13-27(44-2)31(17-23)46-4)36(42)38(35(32)41)34(40)24-18-25(37)29(19-28(24)47-15-14-39)48-20-21-8-6-5-7-9-21/h5-13,16-19,39H,14-15,20H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GCHHRSTVQGCNFS-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