General Information of the Compound
Compound ID
CP0372024
Compound Name
5-((1H-imidazol-1-yl)methyl)-2-phenylpyridine
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Structure
Formula
C15H13N3
Molecular Weight
235.29
Canonical SMILES
C(c1ccc(nc1)-c1ccccc1)n1ccnc1
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InChI
InChI=1S/C15H13N3/c1-2-4-14(5-3-1)15-7-6-13(10-17-15)11-18-9-8-16-12-18/h1-10,12H,11H2
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InChIKey
LWADKIHYDIYKDX-UHFFFAOYSA-N
Physicochemical Property
logP
2.9934
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 44456226
SID: 135630931
ChEMBL ID
CHEMBL428780
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)  2
1
IC50 = 107 nM
   TI
   LI
   LO
   TS
2
IC50 = 152 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)  2
1
IC50 = 1423 nM
   TI
   LI
   LO
   TS
2
IC50 = 2768 nM
   TI
   LI
   LO
   TS