General Information of the Compound
Compound ID
CP0238747
Compound Name
2-[[ethyl(methyl)amino]methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine
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Structure
Formula
C17H19N7
Molecular Weight
321.388
Canonical SMILES
CCN(C)Cc1nc2c(N)nc3cc(ccc3c2[nH]1)-c1cc[nH]n1
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InChI
InChI=1S/C17H19N7/c1-3-24(2)9-14-21-15-11-5-4-10(12-6-7-19-23-12)8-13(11)20-17(18)16(15)22-14/h4-8H,3,9H2,1-2H3,(H2,18,20)(H,19,23)(H,21,22)
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InChIKey
XLPKRTFRNZBWEF-UHFFFAOYSA-N
Physicochemical Property
logP
2.5351
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
99.51
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 137515380
ChEMBL ID
CHEMBL4285025
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
CL000870 HEK-Blue Null1-v Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02546, Toll-like receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000870 HEK-Blue Null1-v Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS