General Information of the Compound
| Compound ID |
CP0485027
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzofuran-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25FN4O
|
||||||||||||||||||
| Molecular Weight |
416.5
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4oc(cc4c3)C#N)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25FN4O/c26-20-4-6-24-23(15-20)18(17-28-24)3-1-2-8-29-9-11-30(12-10-29)21-5-7-25-19(13-21)14-22(16-27)31-25/h4-7,13-15,17,28H,1-3,8-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXKGLSUKUMBHHW-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