General Information of the Compound
| Compound ID |
CP0243827
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| Compound Name |
(E)-3-[4-[[3-(4-fluoro-2-methylphenyl)-7-(hydroxymethyl)-2-oxochromen-4-yl]methyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C27H21FO5
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| Molecular Weight |
444.458
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| Canonical SMILES |
Cc1cc(F)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2ccc(CO)cc2oc1=O
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| InChI |
InChI=1S/C27H21FO5/c1-16-12-20(28)8-10-21(16)26-23(13-18-4-2-17(3-5-18)7-11-25(30)31)22-9-6-19(15-29)14-24(22)33-27(26)32/h2-12,14,29H,13,15H2,1H3,(H,30,31)/b11-7+
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| InChIKey |
PZZCFMSSLOYEMJ-YRNVUSSQSA-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