General Information of the Compound
Compound ID
CP0439731
Compound Name
2-(2,4-dichlorophenoxy)-N-(2-pyridinyl)acetamide
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Structure
Formula
C13H10Cl2N2O2
Molecular Weight
297.141
Canonical SMILES
Clc1ccc(OCC(=O)Nc2ccccn2)c(Cl)c1
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InChI
InChI=1S/C13H10Cl2N2O2/c14-9-4-5-11(10(15)7-9)19-8-13(18)17-12-3-1-2-6-16-12/h1-7H,8H2,(H,16,17,18)
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InChIKey
QIRPQRUYXYRWSJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.4059
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
51.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 792334
ChEMBL ID
CHEMBL1545556
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: PT06033, Microphthalmia-associated transcription factor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000242 SK-MEL-5 Homo sapiens (Human)  1
1
AC50 = 19635 nM
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