General Information of the Compound
| Compound ID |
CP0108416
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| Compound Name |
(+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole
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| Synonyms |
(+)-4-((S)-alpha,2,3-Trimethylbenzyl)imidazole
4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
Dexmedetomidina
Dexmedetomidine
Dexmedetomidine (USAN/INN)
Dexmedetomidinum
MPV 1440
MPV-1440
Precedex (TN)
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| Structure |
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| Formula |
C13H16N2
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| Molecular Weight |
200.285
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| Canonical SMILES |
C[C@H](c1cnc[nH]1)c1cccc(C)c1C
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| InChI |
InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
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| InChIKey |
CUHVIMMYOGQXCV-NSHDSACASA-N
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| CAS |
113775-47-6
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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: PT02060, Alpha-1A adrenergic receptor
Protein ID: PT00644, Alpha-1B adrenergic receptor
Protein ID: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Protein ID: PT01598, Alpha-2C adrenergic receptor
Clinical Information about the Compound