General Information of the Compound
Compound ID
CP0517140
Compound Name
1-(2,2,2-Triphenyl-ethyl)-1H-benzoimidazole
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Structure
Formula
C27H22N2
Molecular Weight
374.487
Canonical SMILES
C(n1cnc2ccccc12)C(c1ccccc1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C27H22N2/c1-4-12-22(13-5-1)27(23-14-6-2-7-15-23,24-16-8-3-9-17-24)20-29-21-28-25-18-10-11-19-26(25)29/h1-19,21H,20H2
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InChIKey
SJYWCGYSZSBFSE-UHFFFAOYSA-N
Physicochemical Property
logP
6.0709
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 53321769
ChEMBL ID
CHEMBL1651511
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 > 1000 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