General Information of the Compound
Compound ID
CP0422872
Compound Name
1-pentyl-4-phenylimidazol-2-amine;hydrochloride
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Formula
C14H20ClN3
Molecular Weight
265.788
Canonical SMILES
Cl.CCCCCn1cc(nc1N)-c1ccccc1
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InChI
InChI=1S/C14H19N3.ClH/c1-2-3-7-10-17-11-13(16-14(17)15)12-8-5-4-6-9-12;/h4-6,8-9,11H,2-3,7,10H2,1H3,(H2,15,16);1H
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InChIKey
QGPOWRIQTDNOBU-UHFFFAOYSA-N
Physicochemical Property
logP
3.7443
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
43.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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
CHEMBL4783434
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 = 2480 nM
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