General Information of the Compound
| Compound ID |
CP0553184
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| Compound Name |
4-[4,4-dimethyl-3-(2-methyl-1-oxo-3H-isoindol-5-yl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
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| Formula |
C22H17F3N4O2S
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| Molecular Weight |
458.465
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| Canonical SMILES |
CN1Cc2cc(ccc2C1=O)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H17F3N4O2S/c1-21(2)19(31)28(14-5-4-12(10-26)17(9-14)22(23,24)25)20(32)29(21)15-6-7-16-13(8-15)11-27(3)18(16)30/h4-9H,11H2,1-3H3
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| InChIKey |
IAUNSDIJZQGAPL-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