General Information of the Compound
Compound ID
CP0580191
Compound Name
7-methyl-9-[4-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)piperazin-1-yl]-1,2,3,4-tetrahydroacridine
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Structure
Formula
C32H36N4
Molecular Weight
476.668
Canonical SMILES
Cc1ccc2nc3CCCCc3c(N3CCN(CC3)c3c4CCCCc4nc4ccc(C)cc34)c2c1
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InChI
InChI=1S/C32H36N4/c1-21-11-13-29-25(19-21)31(23-7-3-5-9-27(23)33-29)35-15-17-36(18-16-35)32-24-8-4-6-10-28(24)34-30-14-12-22(2)20-26(30)32/h11-14,19-20H,3-10,15-18H2,1-2H3
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InChIKey
LGIBRHXFGQHKKA-UHFFFAOYSA-N
Physicochemical Property
logP
6.48404
Rotatable Bonds
2
Heavy Atom Count
36
Polar Areas
32.26
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
36

"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: 168280198
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 = 521 nM
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