General Information of the Compound
| Compound ID |
CP0552834
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| Compound Name |
5-[8-oxo-5-(1-oxo-3H-2-benzofuran-5-yl)-6-sulfanylidene-2-oxa-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
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| Formula |
C20H11F3N4O4S
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| Molecular Weight |
460.393
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| Canonical SMILES |
FC(F)(F)c1cc(cnc1C#N)N1C(=S)N(c2ccc3C(=O)OCc3c2)C2(COC2)C1=O
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| InChI |
InChI=1S/C20H11F3N4O4S/c21-20(22,23)14-4-12(6-25-15(14)5-24)26-17(29)19(8-30-9-19)27(18(26)32)11-1-2-13-10(3-11)7-31-16(13)28/h1-4,6H,7-9H2
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| InChIKey |
VPCILHIXOUHUDX-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