General Information of the Compound
| Compound ID |
CP0553185
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| Compound Name |
5-[4,4-dimethyl-5-oxo-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylideneimidazolidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
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| Formula |
C20H13F3N4O3S
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| Molecular Weight |
446.41
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| Canonical SMILES |
CC1(C)N(C(=S)N(C1=O)c1cnc(C#N)c(c1)C(F)(F)F)c1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C20H13F3N4O3S/c1-19(2)17(29)26(12-6-14(20(21,22)23)15(7-24)25-8-12)18(31)27(19)11-3-4-13-10(5-11)9-30-16(13)28/h3-6,8H,9H2,1-2H3
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| InChIKey |
VLNPTAKQMRZREM-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