General Information of the Compound
Compound ID
CP0451466
Compound Name
3-cyclopropyl-6-fluoro-2-(5-methoxypyridin-3-yl)imidazo[1,2-a]pyridine
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Structure
Formula
C16H14FN3O
Molecular Weight
283.306
Canonical SMILES
COc1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1
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InChI
InChI=1S/C16H14FN3O/c1-21-13-6-11(7-18-8-13)15-16(10-2-3-10)20-9-12(17)4-5-14(20)19-15/h4-10H,2-3H2,1H3
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InChIKey
JQZNZPQADFOCLV-UHFFFAOYSA-N
Physicochemical Property
logP
3.4214
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
39.42
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 71535398
SID: 163531966
ChEMBL ID
CHEMBL3930572
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 = 530 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 = 4 nM
   TI
   LI
   LO
   TS