General Information of the Compound
| Compound ID |
CP0509405
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| Compound Name |
2-Benzhydryl-3-(2,5-difluoro-benzyloxy)-1-aza-bicyclo[2.2.2]octane
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| Structure |
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| Formula |
C27H27F2NO
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| Molecular Weight |
419.515
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| Canonical SMILES |
Fc1ccc(F)c(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1
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| InChI |
InChI=1S/C27H27F2NO/c28-23-11-12-24(29)22(17-23)18-31-27-21-13-15-30(16-14-21)26(27)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,21,25-27H,13-16,18H2
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| InChIKey |
PKFHCOCRXHWTGR-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