General Information of the Compound
| Compound ID |
CP0096991
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(4,9-diethoxy-1,3-dioxobenzo[f]isoindol-2-yl)phenyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21NO6
|
||||||||||||||||||
| Molecular Weight |
419.433
|
||||||||||||||||||
| Canonical SMILES |
CCOc1c2C(=O)N(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21NO6/c1-3-30-21-16-7-5-6-8-17(16)22(31-4-2)20-19(21)23(28)25(24(20)29)15-11-9-14(10-12-15)13-18(26)27/h5-12H,3-4,13H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTYQNZUPTCIVLW-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