General Information of the Compound
| Compound ID |
CP0577993
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| Compound Name |
4-[7-oxo-4-(1-oxo-3H-2-benzofuran-5-yl)-5-sulfanylidene-4,6-diazaspiro[2.4]heptan-6-yl]-2-(trifluoromethyl)benzonitrile
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| Formula |
C21H12F3N3O3S
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| Molecular Weight |
443.406
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)N1C(=S)N(c2ccc3C(=O)OCc3c2)C2(CC2)C1=O
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| InChI |
InChI=1S/C21H12F3N3O3S/c22-21(23,24)16-8-13(2-1-11(16)9-25)26-18(29)20(5-6-20)27(19(26)31)14-3-4-15-12(7-14)10-30-17(15)28/h1-4,7-8H,5-6,10H2
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| InChIKey |
XHGJBWQPICJEGB-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