General Information of the Compound
| Compound ID |
CP0542870
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(2-pyrrolidin-1-ylethoxy)-2,3-dihydroinden-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H19NO2
|
||||||||||||||||||
| Molecular Weight |
245.322
|
||||||||||||||||||
| Canonical SMILES |
O=C1CCc2ccc(OCCN3CCCC3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H19NO2/c17-15-6-4-12-3-5-13(11-14(12)15)18-10-9-16-7-1-2-8-16/h3,5,11H,1-2,4,6-10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKBZBBXWZSJXKO-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