General Information of the Compound
| Compound ID |
CP0488000
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17FN2O
|
||||||||||||||||||
| Molecular Weight |
320.367
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(c1)-c1cc(CNc2cccnc2)cc2CCOc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17FN2O/c21-17-4-1-3-15(11-17)19-10-14(9-16-6-8-24-20(16)19)12-23-18-5-2-7-22-13-18/h1-5,7,9-11,13,23H,6,8,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATLCNEHPTZEMRX-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