General Information of the Compound
| Compound ID |
CP0274899
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| Compound Name |
((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-methyl-amine
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| Structure |
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| Formula |
C29H34N2O
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| Molecular Weight |
426.604
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| Canonical SMILES |
COc1ccccc1CN(C)[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H34N2O/c1-30(21-25-15-9-10-16-26(25)32-2)28-24-17-19-31(20-18-24)29(28)27(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,24,27-29H,17-21H2,1-2H3/t28-,29-/m0/s1
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| InChIKey |
NWDUBICUVMSIHT-VMPREFPWSA-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