General Information of the Compound
Compound ID
CP0457109
Compound Name
(5R)-5-[(3R)-spiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl]-4,5-dihydro-1H-imidazole
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Structure
Formula
C15H18N2
Molecular Weight
226.323
Canonical SMILES
C1C([C@@H]2CN=CN2)[C@]11CCc2ccccc2C1
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InChI
InChI=1S/C15H18N2/c1-2-4-12-7-15(6-5-11(12)3-1)8-13(15)14-9-16-10-17-14/h1-4,10,13-14H,5-9H2,(H,16,17)/t13?,14-,15-/m0/s1
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InChIKey
AMXWFUMPTGFRGD-FGRDXJNISA-N
Physicochemical Property
logP
2.1817
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 135433755
SID: 15613960
ChEMBL ID
CHEMBL354611
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: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 3.162 nM
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   LI
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