General Information of the Compound
Compound ID
CP0849226
Compound Name
N-((1-(2-methylbenzyl)-1H-imidazol-2-yl)methyl)propan-2-amine
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Structure
Formula
C15H21N3
Molecular Weight
243.354
Canonical SMILES
Cc1ccccc1Cn1ccnc1CNC(C)C
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InChI
InChI=1S/C15H21N3/c1-12(2)17-10-15-16-8-9-18(15)11-14-7-5-4-6-13(14)3/h4-9,12,17H,10-11H2,1-3H3
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InChIKey
IHXSUUAPXBDLCV-UHFFFAOYSA-N
Physicochemical Property
logP
2.73782
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
29.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 42669828
ChEMBL ID
CHEMBL3588911
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: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 147910.84 nM
   TI
   LI
   LO
   TS
2
Ki = 22387.21 nM
   TI
   LI
   LO
   TS