General Information of the Compound
| Compound ID |
CP0465359
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| Compound Name |
2-Benzhydryl-3-(3-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 |
Cc1cccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1
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| InChI |
InChI=1S/C28H31NO/c1-21-9-8-10-22(19-21)20-30-28-25-15-17-29(18-16-25)27(28)26(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-14,19,25-28H,15-18,20H2,1H3
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| InChIKey |
IMZAFOWPUFTKBQ-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