General Information of the Compound
Compound ID
CP0374138
Compound Name
9,10-Dihydro-4-methoxy-N-(4-phenoxybutyl)acridin-9-one
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Structure
Formula
C24H23NO3
Molecular Weight
373.452
Canonical SMILES
COc1cccc2c1n(CCCCOc1ccccc1)c1ccccc1c2=O
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InChI
InChI=1S/C24H23NO3/c1-27-22-15-9-13-20-23(22)25(21-14-6-5-12-19(21)24(20)26)16-7-8-17-28-18-10-3-2-4-11-18/h2-6,9-15H,7-8,16-17H2,1H3
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InChIKey
BDAAWGVSAXUJHP-UHFFFAOYSA-N
Physicochemical Property
logP
5.0225
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
40.46
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 42631252
SID: 81070252
ChEMBL ID
CHEMBL562876
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: PT02298, Potassium voltage-gated channel subfamily A member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000309 NCTC clone 929 Mus musculus (Mouse)  1
1
IC50 = 165 nM
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