General Information of the Compound
Compound ID
CP0461904
Compound Name
3-diphenylphosphoryl-2-methylimidazo[1,2-a]pyridine
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Structure
Formula
C20H17N2OP
Molecular Weight
332.343
Canonical SMILES
Cc1nc2ccccn2c1P(=O)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C20H17N2OP/c1-16-20(22-15-9-8-14-19(22)21-16)24(23,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
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InChIKey
KDFKDJBJZCEIIU-UHFFFAOYSA-N
Physicochemical Property
logP
3.28212
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
34.37
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).

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PubChem ID
CID: 44634521
ChEMBL ID
CHEMBL1394028
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)  1
1
IC50 = 27000 nM
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