General Information of the Compound
Compound ID
CP0136869
Compound Name
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-4-oxochromene-2-carboxamide
    Show/Hide
Structure
Formula
C24H26N2O5
Molecular Weight
422.481
Canonical SMILES
COc1cc2oc(cc(=O)c2cc1OC)C(=O)NC1CCN(Cc2ccccc2)CC1
    Show/Hide
InChI
InChI=1S/C24H26N2O5/c1-29-21-12-18-19(27)13-23(31-20(18)14-22(21)30-2)24(28)25-17-8-10-26(11-9-17)15-16-6-4-3-5-7-16/h3-7,12-14,17H,8-11,15H2,1-2H3,(H,25,28)
    Show/Hide
InChIKey
LPAILSHOHFNZBM-UHFFFAOYSA-N
Physicochemical Property
logP
3.2046
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
81.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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
CID: 145989629
ChEMBL ID
CHEMBL4292446
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
Protein ID: PT00820, Acetylcholinesterase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 660 nM
   TI
   LI
   LO
   TS