General Information of the Compound
| Compound ID |
CP0447938
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| Compound Name |
(1R*,4S*,6R*)-(+/-)-2-(Butylsulfonyl)-N-(4-methylphenyl)-2-azabicyclo[2.2.2]octane-6-carboxamide
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| Structure |
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| Formula |
C19H28N2O3S
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| Molecular Weight |
364.511
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| Canonical SMILES |
CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H](C2)C(=O)Nc1ccc(C)cc1
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| InChI |
InChI=1S/C19H28N2O3S/c1-3-4-11-25(23,24)21-13-15-7-10-18(21)17(12-15)19(22)20-16-8-5-14(2)6-9-16/h5-6,8-9,15,17-18H,3-4,7,10-13H2,1-2H3,(H,20,22)/t15-,17+,18-/m0/s1
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| InChIKey |
LIHJVSQKOXMPOK-JQHSSLGASA-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