General Information of the Compound
| Compound ID |
CP0379393
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| Compound Name |
5-[(1aR,6R,6aR)-6-methoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl]-1H-imidazole
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| Structure |
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| Formula |
C14H14N2O
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| Molecular Weight |
226.279
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| Canonical SMILES |
CO[C@@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1
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| InChI |
InChI=1S/C14H14N2O/c1-17-13-10-5-3-2-4-9(10)11-6-14(11,13)12-7-15-8-16-12/h2-5,7-8,11,13H,6H2,1H3,(H,15,16)/t11-,13-,14-/m1/s1
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| InChIKey |
HSSBMQXDKGERBI-MRVWCRGKSA-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: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT02026, Alpha-2B adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor