General Information of the Compound
Compound ID
CP0422880
Compound Name
4-(4-fluoro-2-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride
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Formula
C15H21ClFN3
Molecular Weight
297.805
Canonical SMILES
Cl.CCCCCn1cc(nc1N)-c1ccc(F)cc1C
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InChI
InChI=1S/C15H20FN3.ClH/c1-3-4-5-8-19-10-14(18-15(19)17)13-7-6-12(16)9-11(13)2;/h6-7,9-10H,3-5,8H2,1-2H3,(H2,17,18);1H
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InChIKey
GVWOCBVRDUGYBG-UHFFFAOYSA-N
Physicochemical Property
logP
4.19182
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
43.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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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ChEMBL ID
CHEMBL4781072
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
EC50 = 2010 nM
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