General Information of the Compound
Compound ID
CP0406002
Compound Name
(2-methylimidazo[1,2-a]pyridin-3-yl)-diphenyl-sulfanylidene-lambda5-phosphane
    Show/Hide
Structure
Formula
C20H17N2PS
Molecular Weight
348.411
Canonical SMILES
Cc1nc2ccccn2c1P(=S)(c1ccccc1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C20H17N2PS/c1-16-20(22-15-9-8-14-19(22)21-16)23(24,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
    Show/Hide
InChIKey
QCEJTPCHYLGAJS-UHFFFAOYSA-N
Physicochemical Property
logP
3.39852
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
17.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 44634570
SID: 129982092
ChEMBL ID
CHEMBL1514777
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: PT05857, Neuropeptide S receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
IC50 = 9.1 nM
   TI
   LI
   LO
   TS
2
IC50 = 1000 nM
   TI
   LI
   LO
   TS
3
IC50 = 18000 nM
   TI
   LI
   LO
   TS