General Information of the Compound
Compound ID
CP0511743
Compound Name
4-naphthalen-1-yl-1-pentylimidazol-2-amine;hydrochloride
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Formula
C18H22ClN3
Molecular Weight
315.848
Canonical SMILES
Cl.CCCCCn1cc(nc1N)-c1cccc2ccccc12
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InChI
InChI=1S/C18H21N3.ClH/c1-2-3-6-12-21-13-17(20-18(21)19)16-11-7-9-14-8-4-5-10-15(14)16;/h4-5,7-11,13H,2-3,6,12H2,1H3,(H2,19,20);1H
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InChIKey
AFCKTOJDXSDWFJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.8975
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
43.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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
CHEMBL4779978
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 = 1500 nM
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