General Information of the Compound
| Compound ID |
CP0410879
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| Compound Name |
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[2-(trifluoromethyl)phenyl]sulfanylpropanamide
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| Structure |
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| Formula |
C19H14F6N2O2S
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| Molecular Weight |
448.388
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| Canonical SMILES |
CC(O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C19H14F6N2O2S/c1-17(29,10-30-15-5-3-2-4-13(15)18(20,21)22)16(28)27-12-7-6-11(9-26)14(8-12)19(23,24)25/h2-8,29H,10H2,1H3,(H,27,28)
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| InChIKey |
OPIOQEFQCCOQGB-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