General Information of the Compound
Compound ID
CP0234141
Compound Name
4-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)phenol
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Formula
C20H18N2O
Molecular Weight
302.377
Canonical SMILES
Oc1ccc(\C=N\c2c3CCCCc3nc3ccccc23)cc1
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InChI
InChI=1S/C20H18N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-13,23H,2,4,6,8H2/b21-13+
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InChIKey
LPFRQQSAVVOOFW-FYJGNVAPSA-N
Physicochemical Property
logP
4.5698
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
45.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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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ChEMBL ID
CHEMBL4439554
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 = 1475 nM
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