General Information of the Compound
Compound ID
CP0564568
Compound Name
N-(9-morpholin-4-yl-5,6,7,8-tetrahydroacridin-2-yl)acetamide
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Structure
Formula
C19H23N3O2
Molecular Weight
325.412
Canonical SMILES
CC(=O)Nc1ccc2nc3CCCCc3c(N3CCOCC3)c2c1
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InChI
InChI=1S/C19H23N3O2/c1-13(23)20-14-6-7-18-16(12-14)19(22-8-10-24-11-9-22)15-4-2-3-5-17(15)21-18/h6-7,12H,2-5,8-11H2,1H3,(H,20,23)
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InChIKey
ODICAYAMQUQPSL-UHFFFAOYSA-N
Physicochemical Property
logP
2.9086
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
54.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 168283826
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 = 1110 nM
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