General Information of the Compound
Compound ID
CP0487769
Compound Name
imidazo[1,2-a]pyridin-3-yl-diphenyl-sulfanylidene-lambda5-phosphane
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Structure
Formula
C19H15N2PS
Molecular Weight
334.384
Canonical SMILES
S=P(c1cnc2ccccn12)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C19H15N2PS/c23-22(16-9-3-1-4-10-16,17-11-5-2-6-12-17)19-15-20-18-13-7-8-14-21(18)19/h1-15H
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InChIKey
FPHKOMPAHWNIOS-UHFFFAOYSA-N
Physicochemical Property
logP
3.0901
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
17.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 44634544
SID: 129981880
ChEMBL ID
CHEMBL1393909
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)  2
1
IC50 = 4030 nM
   TI
   LI
   LO
   TS
2
IC50 = 63000 nM
   TI
   LI
   LO
   TS