General Information of the Compound
Compound ID
CP0567446
Compound Name
N-(3,5-dimethylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
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Formula
C24H25NO2
Molecular Weight
359.469
Canonical SMILES
CC(=O)N(Cc1ccc(OCc2ccccc2)cc1)c1cc(C)cc(C)c1
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InChI
InChI=1S/C24H25NO2/c1-18-13-19(2)15-23(14-18)25(20(3)26)16-21-9-11-24(12-10-21)27-17-22-7-5-4-6-8-22/h4-15H,16-17H2,1-3H3
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InChIKey
SNSXLEDUJIUCDF-UHFFFAOYSA-N
Physicochemical Property
logP
5.43554
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
27

"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
CHEMBL4777292
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: PT01817, Translocator protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 737.8 nM
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