General Information of the Compound
| Compound ID |
CP0459206
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| Compound Name |
(1R*,4S*,6R*)-(+/-)-2-[(4-Fluorophenyl)sulfonyl]-N-[4-(propan-2-yloxy)phenyl]-2-azabicyclo[2.2.2]octane-6-carboxamide
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| Structure |
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| Formula |
C23H27FN2O4S
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| Molecular Weight |
446.544
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| Canonical SMILES |
CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(C3)S(=O)(=O)c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C23H27FN2O4S/c1-15(2)30-19-8-6-18(7-9-19)25-23(27)21-13-16-3-12-22(21)26(14-16)31(28,29)20-10-4-17(24)5-11-20/h4-11,15-16,21-22H,3,12-14H2,1-2H3,(H,25,27)/t16-,21+,22-/m0/s1
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| InChIKey |
CLKLFLDWDVEUJN-USCONSEESA-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