General Information of the Compound
| Compound ID |
CP0502380
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Acridin-9-yl-benzo[1,3]dioxol-5-yl-acetaldehyde
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H15NO3
|
||||||||||||||||||
| Molecular Weight |
341.366
|
||||||||||||||||||
| Canonical SMILES |
O=CC(c1ccc2OCOc2c1)c1c2ccccc2nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H15NO3/c24-12-17(14-9-10-20-21(11-14)26-13-25-20)22-15-5-1-3-7-18(15)23-19-8-4-2-6-16(19)22/h1-12,17H,13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QIHJVAFQIZXEHC-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