General Information of the Compound
| Compound ID |
CP0438610
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| Compound Name |
2-Benzhydryl-3-(3-phenoxy-benzyloxy)-1-aza-bicyclo[2.2.2]octane
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| Structure |
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| Formula |
C33H33NO2
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| Molecular Weight |
475.632
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| Canonical SMILES |
C(OC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1cccc(Oc2ccccc2)c1
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| InChI |
InChI=1S/C33H33NO2/c1-4-12-26(13-5-1)31(27-14-6-2-7-15-27)32-33(28-19-21-34(32)22-20-28)35-24-25-11-10-18-30(23-25)36-29-16-8-3-9-17-29/h1-18,23,28,31-33H,19-22,24H2
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| InChIKey |
OKIXEUMIQOKHID-UHFFFAOYSA-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