General Information of the Compound
Compound ID
CP0085572
Compound Name
2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
    Show/Hide
Structure
Formula
C13H13N3S
Molecular Weight
243.335
Canonical SMILES
CCCc1nc2c(N)nc3ccccc3c2s1
    Show/Hide
InChI
InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15)
    Show/Hide
InChIKey
NFYMGJSUKCDVJR-UHFFFAOYSA-N
Physicochemical Property
logP
3.3792
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
51.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 10198719
SID: 15196518
ChEMBL ID
CHEMBL512901
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 = 1320 nM
   TI
   LI
   LO
   TS