General Information of the Compound
Compound ID
CP0570877
Compound Name
N-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
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Formula
C18H21NO2
Molecular Weight
283.371
Canonical SMILES
COc1ccc(CN(C(C)=O)c2cc(C)cc(C)c2)cc1
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InChI
InChI=1S/C18H21NO2/c1-13-9-14(2)11-17(10-13)19(15(3)20)12-16-5-7-18(21-4)8-6-16/h5-11H,12H2,1-4H3
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InChIKey
NLUGICIWJUOHTJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.86514
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
21

"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
CHEMBL4756968
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 = 2785 nM
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