General Information of the Compound
Compound ID
CP0422888
Compound Name
1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride
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Formula
C16H24ClN3
Molecular Weight
293.842
Canonical SMILES
Cl.CCCCCn1cc(CCc2ccccc2)nc1N
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InChI
InChI=1S/C16H23N3.ClH/c1-2-3-7-12-19-13-15(18-16(19)17)11-10-14-8-5-4-6-9-14;/h4-6,8-9,13H,2-3,7,10-12H2,1H3,(H2,17,18);1H
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InChIKey
FNCUAPUWKXGNRD-UHFFFAOYSA-N
Physicochemical Property
logP
3.8625
Rotatable Bonds
7
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
CHEMBL4785005
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 = 1800 nM
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