General Information of the Compound
Compound ID
CP0437671
Compound Name
2-(3-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine
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Structure
Formula
C15H12FN3
Molecular Weight
253.28
Canonical SMILES
Fc1cccc(c1)-c1ccc(Cn2ccnc2)cn1
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InChI
InChI=1S/C15H12FN3/c16-14-3-1-2-13(8-14)15-5-4-12(9-18-15)10-19-7-6-17-11-19/h1-9,11H,10H2
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InChIKey
WXPISIXWGZJUSW-UHFFFAOYSA-N
Physicochemical Property
logP
3.1325
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 67510431
ChEMBL ID
CHEMBL2011245
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
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 320 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS