General Information of the Compound
Compound ID
CP0422461
Compound Name
2-(4-chloro-2-methylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide
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Structure
Formula
C14H13ClN2O3
Molecular Weight
292.722
Canonical SMILES
Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccco1
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InChI
InChI=1S/C14H13ClN2O3/c1-10-7-11(15)4-5-13(10)20-9-14(18)17-16-8-12-3-2-6-19-12/h2-8H,9H2,1H3,(H,17,18)/b16-8+
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InChIKey
UZLCCZMTOAJPRS-LZYBPNLTSA-N
Physicochemical Property
logP
2.77052
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
63.83
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 9557280
ChEMBL ID
CHEMBL4579558
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: PT06716, Anoctamin-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000259 FRT Rattus norvegicus (Rat)  1
1
IC50 = 25700 nM
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