General Information of the Compound
| Compound ID |
CP0545862
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-(1,3-dihydroisoindol-2-yl)propyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24N2O
|
||||||||||||||||||
| Molecular Weight |
332.447
|
||||||||||||||||||
| Canonical SMILES |
C(CN1Cc2ccccc2C1)CN1CCc2oc3ccccc3c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24N2O/c1-2-7-18-15-24(14-17(18)6-1)12-5-11-23-13-10-22-20(16-23)19-8-3-4-9-21(19)25-22/h1-4,6-9H,5,10-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NAHFFBVGHJZTNG-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