General Information of the Compound
| Compound ID |
CP0545687
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| Compound Name |
(1R*,4S*,6R*)-(+/-)-N-[4-(Propan-2-yloxy)phenyl]-2-(propylsulfonyl)-2-azabicyclo[2.2.2]octane-6-carboxamide
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| Structure |
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| Formula |
C20H30N2O4S
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| Molecular Weight |
394.537
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| Canonical SMILES |
CCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H](C2)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C20H30N2O4S/c1-4-11-27(24,25)22-13-15-5-10-19(22)18(12-15)20(23)21-16-6-8-17(9-7-16)26-14(2)3/h6-9,14-15,18-19H,4-5,10-13H2,1-3H3,(H,21,23)/t15-,18+,19-/m0/s1
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| InChIKey |
UJDMCPUQOYKAOH-IPELMVKDSA-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