General Information of the Compound
| Compound ID |
CP0470620
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| Compound Name |
N-[(3-bromophenyl)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)methyl]-2-chloro-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C23H23BrClF3N2O
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| Molecular Weight |
515.801
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| Canonical SMILES |
CN1CC2CCC1(CC2)C(NC(=O)c1cccc(c1Cl)C(F)(F)F)c1cccc(Br)c1
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| InChI |
InChI=1S/C23H23BrClF3N2O/c1-30-13-14-8-10-22(30,11-9-14)20(15-4-2-5-16(24)12-15)29-21(31)17-6-3-7-18(19(17)25)23(26,27)28/h2-7,12,14,20H,8-11,13H2,1H3,(H,29,31)
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| InChIKey |
BUYLHZRMRCVQKQ-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