General Information of the Compound
| Compound ID |
CP0492220
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| Compound Name |
(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol
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| Structure |
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| Formula |
C13H18N2O
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| Molecular Weight |
218.3
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| Canonical SMILES |
O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
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| InChI |
InChI=1S/C13H18N2O/c16-13-11-3-6-15(7-4-11)12(13)8-10-2-1-5-14-9-10/h1-2,5,9,11-13,16H,3-4,6-8H2/t12-,13+/m0/s1
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| InChIKey |
CKDDUULIRPQPSS-QWHCGFSZSA-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