General Information of the Compound
| Compound ID |
CP0521898
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Acridin-9-yl-3-benzo[1,3]dioxol-5-yl-propionic acid methyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H19NO4
|
||||||||||||||||||
| Molecular Weight |
385.419
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C(Cc1ccc2OCOc2c1)c1c2ccccc2nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H19NO4/c1-27-24(26)18(12-15-10-11-21-22(13-15)29-14-28-21)23-16-6-2-4-8-19(16)25-20-9-5-3-7-17(20)23/h2-11,13,18H,12,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXSQTEDQWJHEDB-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