General Information of the Compound
Compound ID
CP0414402
Compound Name
3-cyclopropyl-7-fluoro-2-(5-fluoropyridin-3-yl)imidazo[1,2-a]pyridine
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Structure
Formula
C15H11F2N3
Molecular Weight
271.27
Canonical SMILES
Fc1ccn2c(C3CC3)c(nc2c1)-c1cncc(F)c1
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InChI
InChI=1S/C15H11F2N3/c16-11-3-4-20-13(6-11)19-14(15(20)9-1-2-9)10-5-12(17)8-18-7-10/h3-9H,1-2H2
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InChIKey
ZABXYCMIHAWKIA-UHFFFAOYSA-N
Physicochemical Property
logP
3.5519
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
30.19
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 134155385
ChEMBL ID
CHEMBL3960669
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 = 4600 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 = 98 nM
   TI
   LI
   LO
   TS