General Information of the Compound
Compound ID
CP0552123
Compound Name
7-methyl-9-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroacridine
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Structure
Formula
C19H25N3
Molecular Weight
295.43
Canonical SMILES
CN1CCN(CC1)c1c2CCCCc2nc2ccc(C)cc12
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InChI
InChI=1S/C19H25N3/c1-14-7-8-18-16(13-14)19(22-11-9-21(2)10-12-22)15-5-3-4-6-17(15)20-18/h7-8,13H,3-6,9-12H2,1-2H3
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InChIKey
COXUDBLORLPKBL-UHFFFAOYSA-N
Physicochemical Property
logP
3.17382
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
19.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 168292984
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 = 440 nM
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