General Information of the Compound
| Compound ID |
CP0373590
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| Compound Name |
2-[1-[2-(4-nitrophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole
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| Structure |
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| Formula |
C17H17N3O3
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| Molecular Weight |
311.341
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| Canonical SMILES |
CC(Oc1ccccc1-c1ccc(cc1)[N+]([O-])=O)C1=NCCN1
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| InChI |
InChI=1S/C17H17N3O3/c1-12(17-18-10-11-19-17)23-16-5-3-2-4-15(16)13-6-8-14(9-7-13)20(21)22/h2-9,12H,10-11H2,1H3,(H,18,19)
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| InChIKey |
ZMDCNVSZNFXVKI-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