General Information of the Compound
| Compound ID |
CP0502675
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| Compound Name |
2-Benzhydryl-3-(2-methyl-benzyloxy)-1-aza-bicyclo[2.2.2]octane
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| Structure |
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| Formula |
C28H31NO
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| Molecular Weight |
397.562
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| Canonical SMILES |
Cc1ccccc1COC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H31NO/c1-21-10-8-9-15-25(21)20-30-28-24-16-18-29(19-17-24)27(28)26(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24,26-28H,16-20H2,1H3
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| InChIKey |
PIBKMDNTXVBQNJ-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