General Information of the Compound
Compound ID
CP0381525
Compound Name
2-[1-(2-methylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole
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Structure
Formula
C13H18N2
Molecular Weight
202.301
Canonical SMILES
CC(Cc1ccccc1C)C1=NCCN1
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InChI
InChI=1S/C13H18N2/c1-10-5-3-4-6-12(10)9-11(2)13-14-7-8-15-13/h3-6,11H,7-9H2,1-2H3,(H,14,15)
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InChIKey
HDBLYESYOKKSIO-UHFFFAOYSA-N
Physicochemical Property
logP
2.17532
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 122179426
ChEMBL ID
CHEMBL3582264
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 = 23.44 nM
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