General Information of the Compound
Compound ID
CP0522404
Compound Name
2-(2,3-dihydro-4-(2-methoxyethyl)-1H-inden-1-yl)-1H-imidazole
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Structure
Formula
C15H18N2O
Molecular Weight
242.322
Canonical SMILES
COCCc1cccc2C(CCc12)c1ncc[nH]1
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InChI
InChI=1S/C15H18N2O/c1-18-10-7-11-3-2-4-13-12(11)5-6-14(13)15-16-8-9-17-15/h2-4,8-9,14H,5-7,10H2,1H3,(H,16,17)
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InChIKey
NNKSQAHRFKMBLQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.6767
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
37.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 44571843
ChEMBL ID
CHEMBL473425
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: PT01089, Alpha-1A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 168 nM
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