General Information of the Compound
| Compound ID |
CP0536551
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| Compound Name |
2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
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| Structure |
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| Formula |
C18H14F6N2O4S
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| Molecular Weight |
468.375
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| Canonical SMILES |
CC(O)(CSc1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
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| InChI |
InChI=1S/C18H14F6N2O4S/c1-16(28,9-31-12-4-2-3-10(7-12)17(19,20)21)15(27)25-11-5-6-14(26(29)30)13(8-11)18(22,23)24/h2-8,28H,9H2,1H3,(H,25,27)
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| InChIKey |
XFYFRQRHPMHWLE-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