General Information of the Compound
| Compound ID |
CP0562418
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| Compound Name |
2-[7-(3-chlorophenyl)sulfonyloxy-4,8-dimethyl-2-oxochromen-3-yl]acetic acid
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| Structure |
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| Formula |
C19H15ClO7S
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| Molecular Weight |
422.842
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| Canonical SMILES |
Cc1c(OS(=O)(=O)c2cccc(Cl)c2)ccc2c(C)c(CC(O)=O)c(=O)oc12
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| InChI |
InChI=1S/C19H15ClO7S/c1-10-14-6-7-16(27-28(24,25)13-5-3-4-12(20)8-13)11(2)18(14)26-19(23)15(10)9-17(21)22/h3-8H,9H2,1-2H3,(H,21,22)
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| InChIKey |
CCIULRVRQKGQRJ-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