General Information of the Compound
Compound ID
CP0422237
Compound Name
4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine;hydrochloride
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Formula
C13H21ClN4O
Molecular Weight
284.791
Canonical SMILES
Cl.CCCCCn1cc(nc1N)-c1c(C)noc1C
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InChI
InChI=1S/C13H20N4O.ClH/c1-4-5-6-7-17-8-11(15-13(17)14)12-9(2)16-18-10(12)3;/h8H,4-7H2,1-3H3,(H2,14,15);1H
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InChIKey
XDRILNZELRIXFI-UHFFFAOYSA-N
Physicochemical Property
logP
3.34914
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
69.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
19

"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
CHEMBL4783445
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 = 18800 nM
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