General Information of the Compound
| Compound ID |
CP0494869
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| Compound Name |
(E)-3-[4-[7-ethoxy-3-[2-methyl-4-(trifluoromethoxy)phenyl]-2-oxochromen-4-yl]oxyphenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C28H21F3O7
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| Molecular Weight |
526.463
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| Canonical SMILES |
CCOc1ccc2c(Oc3ccc(\C=C\C(O)=O)cc3)c(-c3ccc(OC(F)(F)F)cc3C)c(=O)oc2c1
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| InChI |
InChI=1S/C28H21F3O7/c1-3-35-19-9-12-22-23(15-19)37-27(34)25(21-11-10-20(14-16(21)2)38-28(29,30)31)26(22)36-18-7-4-17(5-8-18)6-13-24(32)33/h4-15H,3H2,1-2H3,(H,32,33)/b13-6+
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| InChIKey |
QEZAERDAPVYJNL-AWNIVKPZSA-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