General Information of the Compound
| Compound ID |
CP0051512
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| Compound Name |
2-Benzyl-3-(3,5-dimethyl-benzyloxy)-1-aza-bicyclo[2.2.2]octane
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| Structure |
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| Formula |
C23H29NO
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| Molecular Weight |
335.491
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| Canonical SMILES |
Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2Cc2ccccc2)c1
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| InChI |
InChI=1S/C23H29NO/c1-17-12-18(2)14-20(13-17)16-25-23-21-8-10-24(11-9-21)22(23)15-19-6-4-3-5-7-19/h3-7,12-14,21-23H,8-11,15-16H2,1-2H3/t22-,23-/m0/s1
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| InChIKey |
XSUZGCYNKOVZIW-GOTSBHOMSA-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