General Information of the Compound
| Compound ID |
CP0460846
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-{[2-(Ethyl-phenyl-amino)-ethylamino]-methyl}-chromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N2O2
|
||||||||||||||||||
| Molecular Weight |
322.408
|
||||||||||||||||||
| Canonical SMILES |
CCN(CCNCc1ccc2ccc(=O)oc2c1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N2O2/c1-2-22(18-6-4-3-5-7-18)13-12-21-15-16-8-9-17-10-11-20(23)24-19(17)14-16/h3-11,14,21H,2,12-13,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGNDNZAAENLJKA-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