General Information of the Compound
| Compound ID |
CP0497292
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| Compound Name |
(2S,3S)-2-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
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| Structure |
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| Formula |
C21H25ClN2O
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| Molecular Weight |
356.897
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| Canonical SMILES |
COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H25ClN2O/c1-25-19-8-3-2-5-17(19)14-23-20-15-9-11-24(12-10-15)21(20)16-6-4-7-18(22)13-16/h2-8,13,15,20-21,23H,9-12,14H2,1H3/t20-,21-/m0/s1
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| InChIKey |
LAUJLFDPPWBXRV-SFTDATJTSA-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