General Information of the Compound
| Compound ID |
CP0551437
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[5-(1,3-benzodioxol-5-yl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20N2O3
|
||||||||||||||||||
| Molecular Weight |
360.413
|
||||||||||||||||||
| Canonical SMILES |
C(Cc1c[nH]c2ccccc12)NCc1ccc(o1)-c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20N2O3/c1-2-4-19-18(3-1)16(12-24-19)9-10-23-13-17-6-8-20(27-17)15-5-7-21-22(11-15)26-14-25-21/h1-8,11-12,23-24H,9-10,13-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZJSYHDVZJRCHCH-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