General Information of the Compound
| Compound ID |
CP0393298
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-phenyl)-propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27NO2
|
||||||||||||||||||
| Molecular Weight |
361.485
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)c1cccc(c1)-c1ccc2oc(CCN3CCC[C@H]3C)cc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27NO2/c1-3-23(26)20-8-4-7-18(14-20)19-9-10-24-21(15-19)16-22(27-24)11-13-25-12-5-6-17(25)2/h4,7-10,14-17H,3,5-6,11-13H2,1-2H3/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CELAAZUTSNRGKM-QGZVFWFLSA-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