General Information of the Compound
| Compound ID |
CP0517668
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(4,9-dihexoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H39NO5
|
||||||||||||||||||
| Molecular Weight |
517.666
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCOc1c2CN(C(=O)c2c(OCCCCCC)c2ccccc12)c1ccc(CC(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H39NO5/c1-3-5-7-11-19-37-30-25-13-9-10-14-26(25)31(38-20-12-8-6-4-2)29-27(30)22-33(32(29)36)24-17-15-23(16-18-24)21-28(34)35/h9-10,13-18H,3-8,11-12,19-22H2,1-2H3,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKAJTTJQVGYKHG-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