General Information of the Compound
| Compound ID |
CP0007629
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| Compound Name |
(1R,9S)-3-methyl-5-oxa-4,12-diazatricyclo[7.2.1.02,6]dodeca-2(6),3-diene
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| Structure |
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| Formula |
C10H14N2O
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| Molecular Weight |
178.235
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| Canonical SMILES |
Cc1noc2CC[C@@H]3CC[C@@H](N3)c12
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| InChI |
InChI=1S/C10H14N2O/c1-6-10-8-4-2-7(11-8)3-5-9(10)13-12-6/h7-8,11H,2-5H2,1H3/t7-,8+/m0/s1
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| InChIKey |
YYYZECAFXQBICR-JGVFFNPUSA-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: PT03766, Acetylcholine receptor subunit alpha
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7