General Information of the Compound
Compound ID
CP0399595
Compound Name
3-cyclopropyl-6-fluoro-2-(5-phenylpyridin-3-yl)imidazo[1,2-a]pyridine
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Structure
Formula
C21H16FN3
Molecular Weight
329.378
Canonical SMILES
Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc(c1)-c1ccccc1
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InChI
InChI=1S/C21H16FN3/c22-18-8-9-19-24-20(21(15-6-7-15)25(19)13-18)17-10-16(11-23-12-17)14-4-2-1-3-5-14/h1-5,8-13,15H,6-7H2
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InChIKey
NWKQRCZVQAUHPU-UHFFFAOYSA-N
Physicochemical Property
logP
5.0798
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
30.19
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 89471869
ChEMBL ID
CHEMBL3939565
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: PT03119, Cytochrome P450 11B1, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 300 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 6.6 nM
   TI
   LI
   LO
   TS