General Information of the Compound
| Compound ID |
CP0279403
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| Compound Name |
[4-oxo-6-[[4-(trifluoromethoxy)phenyl]sulfanylmethyl]pyran-3-yl] 4-chloro-3-nitrobenzoate
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| Structure |
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| Formula |
C20H11ClF3NO7S
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| Molecular Weight |
501.822
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| Canonical SMILES |
[O-][N+](=O)c1cc(ccc1Cl)C(=O)Oc1coc(CSc2ccc(OC(F)(F)F)cc2)cc1=O
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| InChI |
InChI=1S/C20H11ClF3NO7S/c21-15-6-1-11(7-16(15)25(28)29)19(27)31-18-9-30-13(8-17(18)26)10-33-14-4-2-12(3-5-14)32-20(22,23)24/h1-9H,10H2
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| InChIKey |
JFPVLLOAGVVRKH-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