General Information of the Compound
Compound ID
CP0387054
Compound Name
N-(2,6-dichlorophenyl)-5-methyl-4,5-dihydro-1H-imidazol-2-amine
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Structure
Formula
C10H11Cl2N3
Molecular Weight
244.125
Canonical SMILES
CC1CNC(N1)=Nc1c(Cl)cccc1Cl
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InChI
InChI=1S/C10H11Cl2N3/c1-6-5-13-10(14-6)15-9-7(11)3-2-4-8(9)12/h2-4,6H,5H2,1H3,(H2,13,14,15)
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InChIKey
ITKQNORKNISIMB-UHFFFAOYSA-N
Physicochemical Property
logP
2.5622
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
36.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
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: 12699315
SID: 163441311
ChEMBL ID
CHEMBL2058631
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 = 1949.84 nM
   TI
   LI
   LO
   TS
Protein ID: PT02026, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1318.26 nM
   TI
   LI
   LO
   TS
Protein ID: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 5754.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT02100, Nischarin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  2
1
Ki = 0.93 nM
   TI
   LI
   LO
   TS
2
Ki = 0.9333 nM
   TI
   LI
   LO
   TS