General Information of the Compound
Compound ID
CP0531209
Compound Name
4-(3-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride
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Formula
C15H22ClN3O
Molecular Weight
295.814
Canonical SMILES
Cl.CCCCCn1cc(nc1N)-c1cccc(OC)c1
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InChI
InChI=1S/C15H21N3O.ClH/c1-3-4-5-9-18-11-14(17-15(18)16)12-7-6-8-13(10-12)19-2;/h6-8,10-11H,3-5,9H2,1-2H3,(H2,16,17);1H
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InChIKey
NBODXIMAMRTSTO-UHFFFAOYSA-N
Physicochemical Property
logP
3.7529
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
53.07
Hydrogen Bond Donor Count
1
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
CHEMBL4792768
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 = 2200 nM
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