General Information of the Compound
Compound ID
CP0405873
Compound Name
2-(2,2-diphenylethyl)-4,5-dihydro-1H-imidazole
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Structure
Formula
C17H18N2
Molecular Weight
250.345
Canonical SMILES
C(C(c1ccccc1)c1ccccc1)C1=NCCN1
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InChI
InChI=1S/C17H18N2/c1-3-7-14(8-4-1)16(13-17-18-11-12-19-17)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,18,19)
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InChIKey
RATCNRNTKXYAHW-UHFFFAOYSA-N
Physicochemical Property
logP
3.2103
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 12632114
ChEMBL ID
CHEMBL416893
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: PT02100, Nischarin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  1
1
Ki = 3090.3 nM
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