General Information of the Compound
| Compound ID |
CP0501455
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| Compound Name |
(1R*,4S*,6R*)-(+/-)-N-(4-Benzylphenyl)-2-(butylsulfonyl)-2-azabicyclo[2.2.2]octane-6-carboxamide
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| Structure |
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| Formula |
C25H32N2O3S
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| Molecular Weight |
440.609
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| Canonical SMILES |
CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H](C2)C(=O)Nc1ccc(Cc2ccccc2)cc1
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| InChI |
InChI=1S/C25H32N2O3S/c1-2-3-15-31(29,30)27-18-21-11-14-24(27)23(17-21)25(28)26-22-12-9-20(10-13-22)16-19-7-5-4-6-8-19/h4-10,12-13,21,23-24H,2-3,11,14-18H2,1H3,(H,26,28)/t21-,23+,24-/m0/s1
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| InChIKey |
VXRUSMDGHLZODH-QTJGBDASSA-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