General Information of the Compound
| Compound ID |
CP0302558
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| Compound Name |
(E)-3-[4-[[7-hydroxy-3-(3-methylphenyl)-2-oxochromen-4-yl]methyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C26H20O5
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| Molecular Weight |
412.441
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| Canonical SMILES |
Cc1cccc(c1)-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O
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| InChI |
InChI=1S/C26H20O5/c1-16-3-2-4-19(13-16)25-22(21-11-10-20(27)15-23(21)31-26(25)30)14-18-7-5-17(6-8-18)9-12-24(28)29/h2-13,15,27H,14H2,1H3,(H,28,29)/b12-9+
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| InChIKey |
KLBZFFBZZNRWHN-FMIVXFBMSA-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