General Information of the Compound
| Compound ID |
CP0391376
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| Compound Name |
2-[1-(2-methylsulfonylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
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| Structure |
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| Formula |
C12H16N2O3S
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| Molecular Weight |
268.338
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| Canonical SMILES |
CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1
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| InChI |
InChI=1S/C12H16N2O3S/c1-9(12-13-7-8-14-12)17-10-5-3-4-6-11(10)18(2,15)16/h3-6,9H,7-8H2,1-2H3,(H,13,14)
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| InChIKey |
BUVSDNNKXQXCRO-UHFFFAOYSA-N
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT02026, Alpha-2B adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor