General Information of the Compound
| Compound ID |
CP0480893
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Acridin-9-yl-(2,2-dimethyl-benzo[1,3]dioxol-5-yl)-acetic acid methyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21NO4
|
||||||||||||||||||
| Molecular Weight |
399.446
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C(c1ccc2OC(C)(C)Oc2c1)c1c2ccccc2nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21NO4/c1-25(2)29-20-13-12-15(14-21(20)30-25)22(24(27)28-3)23-16-8-4-6-10-18(16)26-19-11-7-5-9-17(19)23/h4-14,22H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GTLRAUMURPBKNZ-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