General Information of the Compound
Compound ID
CP0576783
Compound Name
4-(7-nitro-1,2,3,4-tetrahydroacridin-9-yl)morpholine
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Structure
Formula
C17H19N3O3
Molecular Weight
313.357
Canonical SMILES
[O-][N+](=O)c1ccc2nc3CCCCc3c(N3CCOCC3)c2c1
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InChI
InChI=1S/C17H19N3O3/c21-20(22)12-5-6-16-14(11-12)17(19-7-9-23-10-8-19)13-3-1-2-4-15(13)18-16/h5-6,11H,1-4,7-10H2
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InChIKey
VTKIALXGDMRVEJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.8584
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
68.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 168284604
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 = 1217 nM
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