General Information of the Compound
Compound ID
CP0503624
Compound Name
1-(2,2,2-Triphenyl-ethyl)-1H-imidazole
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Structure
Formula
C23H20N2
Molecular Weight
324.427
Canonical SMILES
C(n1ccnc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C23H20N2/c1-4-10-20(11-5-1)23(18-25-17-16-24-19-25,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,19H,18H2
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InChIKey
XJIOQTLPOYOEEQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.9177
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 53325760
ChEMBL ID
CHEMBL1651508
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 = 4 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 = 8 nM
   TI
   LI
   LO
   TS