General Information of the Compound
| Compound ID |
CP0576288
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| Compound Name |
7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-N-hydroxyheptanamide
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| Structure |
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| Formula |
C20H23F3N4O3S
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| Molecular Weight |
456.49
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| Canonical SMILES |
CC1(C)N(CCCCCCC(=O)NO)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H23F3N4O3S/c1-19(2)17(29)27(14-9-8-13(12-24)15(11-14)20(21,22)23)18(31)26(19)10-6-4-3-5-7-16(28)25-30/h8-9,11,30H,3-7,10H2,1-2H3,(H,25,28)
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| InChIKey |
WLPIGGPBGBVLAI-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