General Information of the Compound
Compound ID
CP0447461
Compound Name
2-[5-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl]propan-2-ol
    Show/Hide
Structure
Formula
C16H16FN3O
Molecular Weight
285.322
Canonical SMILES
Cc1c(nc2ccc(F)cn12)-c1cncc(c1)C(C)(C)O
    Show/Hide
InChI
InChI=1S/C16H16FN3O/c1-10-15(19-14-5-4-13(17)9-20(10)14)11-6-12(8-18-7-11)16(2,3)21/h4-9,21H,1-3H3
    Show/Hide
InChIKey
RGSFVMIGUPCSBG-UHFFFAOYSA-N
Physicochemical Property
logP
3.07122
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
50.42
Hydrogen Bond Donor Count
1
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 86730381
ChEMBL ID
CHEMBL3968397
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 = 37 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 = 1.2 nM
   TI
   LI
   LO
   TS