General Information of the Compound
| Compound ID |
CP0159927
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| Compound Name |
[4-oxo-6-(phenylsulfanylmethyl)pyran-3-yl] 4-chloro-3-nitrobenzoate
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| Structure |
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| Formula |
C19H12ClNO6S
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| Molecular Weight |
417.826
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| Canonical SMILES |
[O-][N+](=O)c1cc(ccc1Cl)C(=O)Oc1coc(CSc2ccccc2)cc1=O
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| InChI |
InChI=1S/C19H12ClNO6S/c20-15-7-6-12(8-16(15)21(24)25)19(23)27-18-10-26-13(9-17(18)22)11-28-14-4-2-1-3-5-14/h1-10H,11H2
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| InChIKey |
MCLMHKJKORVGTP-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