General Information of the Compound
Compound ID |
CP0429651
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
(2E)-2-benzylidene-6-(3-piperidin-1-ylpropoxy)-3H-inden-1-one
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C24H27NO2
|
||||||||||||||||||
Molecular Weight |
361.485
|
||||||||||||||||||
Canonical SMILES |
O=C1\C(Cc2ccc(OCCCN3CCCCC3)cc12)=C\c1ccccc1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C24H27NO2/c26-24-21(16-19-8-3-1-4-9-19)17-20-10-11-22(18-23(20)24)27-15-7-14-25-12-5-2-6-13-25/h1,3-4,8-11,16,18H,2,5-7,12-15,17H2/b21-16+
Show/Hide
|
||||||||||||||||||
InChIKey |
WBCHSYPADBDHDT-LTGZKZEYSA-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