General Information of the Compound
| Compound ID |
CP0578673
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| Compound Name |
N-(2-aminophenyl)-2-[3-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
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| Structure |
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| Formula |
C26H24F3N5O2S
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| Molecular Weight |
527.572
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| Canonical SMILES |
CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)C12CC(CC(=O)Nc3ccccc3N)(C1)C2
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| InChI |
InChI=1S/C26H24F3N5O2S/c1-23(2)21(36)33(16-8-7-15(11-30)17(9-16)26(27,28)29)22(37)34(23)25-12-24(13-25,14-25)10-20(35)32-19-6-4-3-5-18(19)31/h3-9H,10,12-14,31H2,1-2H3,(H,32,35)
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| InChIKey |
LJXIHVUJXWDALZ-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