General Information of the Compound
| Compound ID |
CP0466530
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| Compound Name |
(2-Methoxy-benzyl)-((2S,3R)-2-phenyl-1-aza-bicyclo[2.2.2]oct-3-yl)-amine
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| Structure |
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| Formula |
C21H26N2O
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| Molecular Weight |
322.452
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| Canonical SMILES |
COc1ccccc1CN[C@@H]1C2CCN(CC2)[C@H]1c1ccccc1
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| InChI |
InChI=1S/C21H26N2O/c1-24-19-10-6-5-9-18(19)15-22-20-16-11-13-23(14-12-16)21(20)17-7-3-2-4-8-17/h2-10,16,20-22H,11-15H2,1H3/t20-,21+/m1/s1
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| InChIKey |
JUQHUETWINQXRD-RTWAWAEBSA-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