General Information of the Compound
| Compound ID |
CP0532736
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| Compound Name |
3-Amino-6-bromo-5-trifluoromethyl-pyridine-2-carboxylic acid ((S)-3,3,3-trifluoro-2-hydroxy-2-methyl-propyl)-amide
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| Structure |
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| Formula |
C11H10BrF6N3O2
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| Molecular Weight |
410.112
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| Canonical SMILES |
C[C@](O)(CNC(=O)c1nc(Br)c(cc1N)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C11H10BrF6N3O2/c1-9(23,11(16,17)18)3-20-8(22)6-5(19)2-4(7(12)21-6)10(13,14)15/h2,23H,3,19H2,1H3,(H,20,22)/t9-/m0/s1
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| InChIKey |
FKVGABLCWNRNCT-VIFPVBQESA-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
Protein ID: PT02042, Cystic fibrosis transmembrane conductance regulator
Cell-based Assay