General Information of the Compound
| Compound ID |
CP0538104
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| Compound Name |
(1R*,4S*,6R*)-(+/-)-N-[4-(Propan-2-yloxy)phenyl]-2-{[4-(trifluoromethyl)phenyl]sulfonyl}-2-azabicyclo[2.2.2]octane-6-carboxamide
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| Structure |
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| Formula |
C24H27F3N2O4S
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| Molecular Weight |
496.551
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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(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C24H27F3N2O4S/c1-15(2)33-19-8-6-18(7-9-19)28-23(30)21-13-16-3-12-22(21)29(14-16)34(31,32)20-10-4-17(5-11-20)24(25,26)27/h4-11,15-16,21-22H,3,12-14H2,1-2H3,(H,28,30)/t16-,21+,22-/m0/s1
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| InChIKey |
JSVLCYCHSQNUNW-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