General Information of the Compound
| Compound ID |
CP0558165
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
furan-2-yl-[(3E)-3-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]pyrrolidin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16N2O2
|
||||||||||||||||||
| Molecular Weight |
292.338
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(n1)C#C\C=C1/CCN(C1)C(=O)c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16N2O2/c1-14-5-2-7-16(19-14)8-3-6-15-10-11-20(13-15)18(21)17-9-4-12-22-17/h2,4-7,9,12H,10-11,13H2,1H3/b15-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
FDPGHEVSEKMCDQ-GIDUJCDVSA-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