General Information of the Compound
| Compound ID |
CP0501454
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| Compound Name |
(1R*,4S*,6R*)-(+/-)-2-(Butylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]-2-azabicyclo[2.2.2]octane-6-carboxamide
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| Structure |
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| Formula |
C19H25F3N2O4S
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| Molecular Weight |
434.48
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| Canonical SMILES |
CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H](C2)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C19H25F3N2O4S/c1-2-3-10-29(26,27)24-12-13-4-9-17(24)16(11-13)18(25)23-14-5-7-15(8-6-14)28-19(20,21)22/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,23,25)/t13-,16+,17-/m0/s1
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| InChIKey |
MFTIMBVMXDIZOP-XKQJLSEDSA-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