General Information of the Compound
Compound ID
CP0446608
Compound Name
1-(4-Amino-2-((diethylamino)methyl)-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
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Structure
Formula
C19H27N5O
Molecular Weight
341.459
Canonical SMILES
CCN(CC)Cc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
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InChI
InChI=1S/C19H27N5O/c1-5-23(6-2)11-15-22-16-17(24(15)12-19(3,4)25)13-9-7-8-10-14(13)21-18(16)20/h7-10,25H,5-6,11-12H2,1-4H3,(H2,20,21)
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InChIKey
BFGLHQCVAFNZCT-UHFFFAOYSA-N
Physicochemical Property
logP
2.7794
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
80.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
25

"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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PubChem ID
CID: 46834248
SID: 99212163
ChEMBL ID
CHEMBL1082364
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: PT02160, Toll-like receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 7710 nM
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