General Information of the Compound
| Compound ID |
CP0558231
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| Compound Name |
4-[4-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-2-(trifluoromethyl)benzonitrile
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| Formula |
C22H14F3N3O4S
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| Molecular Weight |
473.432
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)N1C(=S)N(c2ccc3C(=O)OCc3c2)C2(CCOC2)C1=O
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| InChI |
InChI=1S/C22H14F3N3O4S/c23-22(24,25)17-8-14(2-1-12(17)9-26)27-19(30)21(5-6-31-11-21)28(20(27)33)15-3-4-16-13(7-15)10-32-18(16)29/h1-4,7-8H,5-6,10-11H2
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| InChIKey |
WBMUSHVQLUBMEF-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