General Information of the Compound
| Compound ID |
CP0528914
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| Compound Name |
2-Benzhydryl-3-(4-chloro-benzyloxy)-1-aza-bicyclo[2.2.2]octane
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| Structure |
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| Formula |
C27H28ClNO
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| Molecular Weight |
417.98
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| Canonical SMILES |
Clc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C27H28ClNO/c28-24-13-11-20(12-14-24)19-30-27-23-15-17-29(18-16-23)26(27)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23,25-27H,15-19H2
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| InChIKey |
NEMILYAYVCLLDG-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