General Information of the Compound
| Compound ID |
CP0528082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(furan-2-ylmethylamino)-4-(4-methylpiperazin-1-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20N4O
|
||||||||||||||||||
| Molecular Weight |
296.374
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1ccc(C#N)c(NCc2ccco2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20N4O/c1-20-6-8-21(9-7-20)15-5-4-14(12-18)17(11-15)19-13-16-3-2-10-22-16/h2-5,10-11,19H,6-9,13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HHJORYDAHSBCPD-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