General Information of the Compound
| Compound ID |
CP0376576
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| Compound Name |
1-(3,5-Bis-trifluoromethyl-phenyl)-3-(hydroxy-methyl-amino)-propenone
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| Structure |
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| Formula |
C12H9F6NO2
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| Molecular Weight |
313.197
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| Canonical SMILES |
CN(O)\C=C/C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C12H9F6NO2/c1-19(21)3-2-10(20)7-4-8(11(13,14)15)6-9(5-7)12(16,17)18/h2-6,21H,1H3/b3-2-
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| InChIKey |
WGHXKDXVLZYAHS-IHWYPQMZSA-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