General Information of the Compound
Compound ID
CP0379914
Compound Name
1-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
    Show/Hide
Structure
Formula
C14H16N4O
Molecular Weight
256.309
Canonical SMILES
CC(C)(O)Cn1cnc2c(N)nc3ccccc3c12
    Show/Hide
InChI
InChI=1S/C14H16N4O/c1-14(2,19)7-18-8-16-11-12(18)9-5-3-4-6-10(9)17-13(11)15/h3-6,8,19H,7H2,1-2H3,(H2,15,17)
    Show/Hide
InChIKey
CNBOKXFMODKQCT-UHFFFAOYSA-N
CAS
112668-45-8
Physicochemical Property
logP
1.9376
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
76.96
Hydrogen Bond Donor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 130714
SID: 14798826
ChEMBL ID
CHEMBL195276
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 = 95000 nM
   TI
   LI
   LO
   TS