General Information of the Compound
| Compound ID |
CP0407783
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| Compound Name |
[(2R,3R)-5,7-dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-3-yl] 4-methoxybenzoate
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| Structure |
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| Formula |
C28H28O10
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| Molecular Weight |
524.522
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| Canonical SMILES |
COc1ccc(cc1)C(=O)O[C@@H]1[C@H](Oc2cc(OC)cc(OC)c2C1=O)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C28H28O10/c1-31-17-9-7-15(8-10-17)28(30)38-27-24(29)23-19(33-3)13-18(32-2)14-20(23)37-25(27)16-11-21(34-4)26(36-6)22(12-16)35-5/h7-14,25,27H,1-6H3/t25-,27+/m1/s1
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| InChIKey |
QTOKQSAAOPWAEX-VPUSJEBWSA-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