General Information of the Compound
Compound ID
CP0354806
Compound Name
N-(1-benzylpiperidin-4-yl)-6-methoxy-4-oxochromene-2-carboxamide
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Structure
Formula
C23H24N2O4
Molecular Weight
392.455
Canonical SMILES
COc1ccc2oc(cc(=O)c2c1)C(=O)NC1CCN(Cc2ccccc2)CC1
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InChI
InChI=1S/C23H24N2O4/c1-28-18-7-8-21-19(13-18)20(26)14-22(29-21)23(27)24-17-9-11-25(12-10-17)15-16-5-3-2-4-6-16/h2-8,13-14,17H,9-12,15H2,1H3,(H,24,27)
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InChIKey
UUECOJIIJDTIAC-UHFFFAOYSA-N
Physicochemical Property
logP
3.196
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
71.78
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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).

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PubChem ID
CID: 145988032
ChEMBL ID
CHEMBL4290940
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 = 970 nM
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