General Information of the Compound
| Compound ID |
CP0010370
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| Compound Name |
ethyl (1R,9S)-5-oxa-4,12-diazatricyclo[7.2.1.02,6]dodeca-2(6),3-diene-3-carboxylate
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| Structure |
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| Formula |
C12H16N2O3
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| Molecular Weight |
236.271
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| Canonical SMILES |
CCOC(=O)c1noc2CC[C@@H]3CC[C@@H](N3)c12
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| InChI |
InChI=1S/C12H16N2O3/c1-2-16-12(15)11-10-8-5-3-7(13-8)4-6-9(10)17-14-11/h7-8,13H,2-6H2,1H3/t7-,8+/m0/s1
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| InChIKey |
BLCLSUGHEXNQAK-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