General Information of the Compound
Compound ID
CP0574543
Compound Name
7-methyl-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroacridin-9-amine
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Structure
Formula
C20H27N3O
Molecular Weight
325.456
Canonical SMILES
Cc1ccc2nc3CCCCc3c(NCCN3CCOCC3)c2c1
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InChI
InChI=1S/C20H27N3O/c1-15-6-7-19-17(14-15)20(16-4-2-3-5-18(16)22-19)21-8-9-23-10-12-24-13-11-23/h6-7,14H,2-5,8-13H2,1H3,(H,21,22)
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InChIKey
JHKMYOWNYNDGJT-UHFFFAOYSA-N
Physicochemical Property
logP
3.16612
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
37.39
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: 168290931
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 = 131 nM
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