General Information of the Compound
Compound ID
CP0094956
Compound Name
2-(2,6-Dichloro-3-methyl-phenylamino)-N-methoxy-benzamide
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Structure
Formula
C15H14Cl2N2O2
Molecular Weight
325.195
Canonical SMILES
CONC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl
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InChI
InChI=1S/C15H14Cl2N2O2/c1-9-7-8-11(16)14(13(9)17)18-12-6-4-3-5-10(12)15(20)19-21-2/h3-8,18H,1-2H3,(H,19,20)
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InChIKey
ZKPFBHQYHSRHPJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.33662
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
50.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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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PubChem ID
CID: 19815165
ChEMBL ID
CHEMBL433287
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 16000 nM
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