General Information of the Compound
Compound ID
CP0420155
Compound Name
5-(1-imidazol-1-ylpropyl)-2-phenylpyridine
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Structure
Formula
C17H17N3
Molecular Weight
263.344
Canonical SMILES
CCC(c1ccc(nc1)-c1ccccc1)n1ccnc1
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InChI
InChI=1S/C17H17N3/c1-2-17(20-11-10-18-13-20)15-8-9-16(19-12-15)14-6-4-3-5-7-14/h3-13,17H,2H2,1H3
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InChIKey
HKIJRPFJYWOWOI-UHFFFAOYSA-N
Physicochemical Property
logP
3.9445
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
30.71
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: 57329941
SID: 136332137
ChEMBL ID
CHEMBL2417620
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 = 28 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 = 92 nM
   TI
   LI
   LO
   TS