General Information of the Compound
Compound ID
CP0482312
Compound Name
2-chloro-6-fluoro-N-[4-[3-iodo-5-(trifluoromethyl)phenoxy]phenyl]benzamide
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Structure
Formula
C20H11ClF4INO2
Molecular Weight
535.662
Canonical SMILES
Fc1cccc(Cl)c1C(=O)Nc1ccc(Oc2cc(I)cc(c2)C(F)(F)F)cc1
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InChI
InChI=1S/C20H11ClF4INO2/c21-16-2-1-3-17(22)18(16)19(28)27-13-4-6-14(7-5-13)29-15-9-11(20(23,24)25)8-12(26)10-15/h1-10H,(H,27,28)
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InChIKey
ARJZDZRUKYHUHE-UHFFFAOYSA-N
Physicochemical Property
logP
7.1471
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 155516384
ChEMBL ID
CHEMBL4443220
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: PT02546, Toll-like receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 5000 nM
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