General Information of the Compound
| Compound ID |
CP0463622
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| Compound Name |
2-(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yloxymethyl)-benzonitrile
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| Structure |
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| Formula |
C28H28N2O
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| Molecular Weight |
408.545
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| Canonical SMILES |
N#Cc1ccccc1COC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H28N2O/c29-19-24-13-7-8-14-25(24)20-31-28-23-15-17-30(18-16-23)27(28)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,26-28H,15-18,20H2
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| InChIKey |
OQKBUEOIKFHGHT-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