General Information of the Compound
| Compound ID |
CP0513780
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-cyano-N-(5-(hydroxymethyl)-2-(piperidin-1-yl)phenyl)furan-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19N3O3
|
||||||||||||||||||
| Molecular Weight |
325.368
|
||||||||||||||||||
| Canonical SMILES |
OCc1ccc(N2CCCCC2)c(NC(=O)c2ccc(o2)C#N)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19N3O3/c19-11-14-5-7-17(24-14)18(23)20-15-10-13(12-22)4-6-16(15)21-8-2-1-3-9-21/h4-7,10,22H,1-3,8-9,12H2,(H,20,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PGPQSLHHTKQTOY-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