General Information of the Compound
| Compound ID |
CP0567126
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| Compound Name |
2-chloro-N-[furan-2-yl-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)methyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C21H22ClF3N2O2
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| Molecular Weight |
426.866
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| Canonical SMILES |
CN1CC2CCC1(CC2)C(NC(=O)c1cccc(c1Cl)C(F)(F)F)c1ccco1
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| InChI |
InChI=1S/C21H22ClF3N2O2/c1-27-12-13-7-9-20(27,10-8-13)18(16-6-3-11-29-16)26-19(28)14-4-2-5-15(17(14)22)21(23,24)25/h2-6,11,13,18H,7-10,12H2,1H3,(H,26,28)
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| InChIKey |
CGDMCRFNNRRDRW-UHFFFAOYSA-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