General Information of the Compound
| Compound ID |
CP0558275
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| Compound Name |
4-[4-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylidene-9-oxa-1,3-diazaspiro[4.5]decan-3-yl]-2-(trifluoromethyl)benzonitrile
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| Formula |
C23H16F3N3O4S
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| Molecular Weight |
487.459
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)N1C(=S)N(c2ccc3C(=O)OCc3c2)C2(CCCOC2)C1=O
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| InChI |
InChI=1S/C23H16F3N3O4S/c24-23(25,26)18-9-15(3-2-13(18)10-27)28-20(31)22(6-1-7-32-12-22)29(21(28)34)16-4-5-17-14(8-16)11-33-19(17)30/h2-5,8-9H,1,6-7,11-12H2
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| InChIKey |
TVOANSXVYOFMAO-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