General Information of the Compound
Compound ID
CP0422885
Compound Name
[2-(2-amino-1-pentylimidazol-4-yl)phenyl]methanol;hydrochloride
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Formula
C15H22ClN3O
Molecular Weight
295.814
Canonical SMILES
Cl.CCCCCn1cc(nc1N)-c1ccccc1CO
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InChI
InChI=1S/C15H21N3O.ClH/c1-2-3-6-9-18-10-14(17-15(18)16)13-8-5-4-7-12(13)11-19;/h4-5,7-8,10,19H,2-3,6,9,11H2,1H3,(H2,16,17);1H
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InChIKey
JWVONKSINUZIKG-UHFFFAOYSA-N
Physicochemical Property
logP
3.2366
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
64.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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
CHEMBL4780289
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 = 8050 nM
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