General Information of the Compound
Compound ID
CP0506154
Compound Name
1-Benzyl-2-propyl-1H-imidazo[4,5-c]quinolin-4-amine
    Show/Hide
Structure
Formula
C20H20N4
Molecular Weight
316.408
Canonical SMILES
CCCc1nc2c(N)nc3ccccc3c2n1Cc1ccccc1
    Show/Hide
InChI
InChI=1S/C20H20N4/c1-2-8-17-23-18-19(24(17)13-14-9-4-3-5-10-14)15-11-6-7-12-16(15)22-20(18)21/h3-7,9-12H,2,8,13H2,1H3,(H2,21,22)
    Show/Hide
InChIKey
VNFWFRAPXUNMFJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.1675
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
56.73
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 46830488
SID: 99208255
ChEMBL ID
CHEMBL1086143
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 = 647 nM
   TI
   LI
   LO
   TS