General Information of the Compound
Compound ID
CP0533373
Compound Name
2-chloro-6-fluoro-N-[4-[5-(trifluoromethyl)pyridin-3-yl]oxyphenyl]benzamide
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Structure
Formula
C19H11ClF4N2O2
Molecular Weight
410.754
Canonical SMILES
Fc1cccc(Cl)c1C(=O)Nc1ccc(Oc2cncc(c2)C(F)(F)F)cc1
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InChI
InChI=1S/C19H11ClF4N2O2/c20-15-2-1-3-16(21)17(15)18(27)26-12-4-6-13(7-5-12)28-14-8-11(9-25-10-14)19(22,23)24/h1-10H,(H,26,27)
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InChIKey
SCGAUHOBRHOBHL-UHFFFAOYSA-N
Physicochemical Property
logP
5.9375
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
51.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 155525693
ChEMBL ID
CHEMBL4456777
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 = 2870 nM
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