General Information of the Compound
| Compound ID |
CP0009302
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| Compound Name |
(+)-epibatidine
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| Structure |
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| Formula |
C11H13ClN2
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| Molecular Weight |
208.692
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| Canonical SMILES |
Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2
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| InChI |
InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1
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| InChIKey |
NLPRAJRHRHZCQQ-UTLUCORTSA-N
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| CAS |
152378-30-8
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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