General Information of the Compound
| Compound ID |
CP0132435
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| Compound Name |
1-{6-[6-(trifluoromethyl)pyridine-3-amido]quinolin-2-yl}-1-azabicyclo[2.2.2]octan-1-ylium
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| Structure |
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| Formula |
C23H22F3N4O+
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| Molecular Weight |
427.45
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| Canonical SMILES |
FC(F)(F)c1ccc(cn1)C(=O)Nc1ccc2nc(ccc2c1)[N+]12CCC(CC1)CC2
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| InChI |
InChI=1S/C23H21F3N4O/c24-23(25,26)20-5-1-17(14-27-20)22(31)28-18-3-4-19-16(13-18)2-6-21(29-19)30-10-7-15(8-11-30)9-12-30/h1-6,13-15H,7-12H2/p+1
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| InChIKey |
JELVMLGNGARORH-UHFFFAOYSA-O
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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