General Information of the Compound
| Compound ID |
CP0372331
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| Compound Name |
3-[3-(4-Cyano-3-trifluoromethylphenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl]propane-1-sulfonic acidmethylamide
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| Structure |
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| Formula |
C17H19F3N4O3S2
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| Molecular Weight |
448.492
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| Canonical SMILES |
CNS(=O)(=O)CCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C17H19F3N4O3S2/c1-16(2)14(25)24(15(28)23(16)7-4-8-29(26,27)22-3)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,22H,4,7-8H2,1-3H3
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| InChIKey |
AGSCTHMUNVWIEG-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