General Information of the Compound
| Compound ID |
CP0469894
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| Compound Name |
2-Benzhydryl-3-(3-nitro-benzyloxy)-1-aza-bicyclo[2.2.2]octane
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| Structure |
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| Formula |
C27H28N2O3
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| Molecular Weight |
428.532
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| Canonical SMILES |
[O-][N+](=O)c1cccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1
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| InChI |
InChI=1S/C27H28N2O3/c30-29(31)24-13-7-8-20(18-24)19-32-27-23-14-16-28(17-15-23)26(27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,23,25-27H,14-17,19H2
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| InChIKey |
JRNWVEJTBSFZTD-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