General Information of the Compound
Compound ID
CP0570369
Compound Name
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyphenyl)iminoacetamide
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Formula
C16H15ClN2O3
Molecular Weight
318.76
Canonical SMILES
COc1ccccc1\N=N\C(=O)COc1ccc(Cl)cc1C
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InChI
InChI=1S/C16H15ClN2O3/c1-11-9-12(17)7-8-14(11)22-10-16(20)19-18-13-5-3-4-6-15(13)21-2/h3-9H,10H2,1-2H3/b19-18+
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InChIKey
DCOBSIIMJFMODM-VHEBQXMUSA-N
Physicochemical Property
logP
4.34632
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
60.25
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
22

"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
CHEMBL5190831
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 = 1070 nM
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