General Information of the Compound
| Compound ID |
CP0287047
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| Compound Name |
(E)-3-[4-[[3-(4-fluoro-2-methoxyphenyl)-7-hydroxy-2-oxochromen-4-yl]methyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C26H19FO6
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| Molecular Weight |
446.43
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| Canonical SMILES |
COc1cc(F)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O
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| InChI |
InChI=1S/C26H19FO6/c1-32-22-13-17(27)7-9-20(22)25-21(19-10-8-18(28)14-23(19)33-26(25)31)12-16-4-2-15(3-5-16)6-11-24(29)30/h2-11,13-14,28H,12H2,1H3,(H,29,30)/b11-6+
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| InChIKey |
NPWWPKYLUJXSNI-IZZDOVSWSA-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