General Information of the Compound
| Compound ID |
CP0410877
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| Compound Name |
3,3,3-trifluoro-2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]propanamide
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| Structure |
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| Formula |
C18H11F9N2O4S
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| Molecular Weight |
522.345
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| Canonical SMILES |
OC(CSc1ccccc1C(F)(F)F)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O)C(F)(F)F
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| InChI |
InChI=1S/C18H11F9N2O4S/c19-16(20,21)10-3-1-2-4-13(10)34-8-15(31,18(25,26)27)14(30)28-9-5-6-12(29(32)33)11(7-9)17(22,23)24/h1-7,31H,8H2,(H,28,30)
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| InChIKey |
MQZLJJILMXVQFR-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