General Information of the Compound
| Compound ID |
CP0849537
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| Compound Name |
(2R,3R)-5,7-Dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-chroman-3-yl 4-fluoro-3-((E)-3-(3,4,5-trimethoxyphenyl)-acrylamido)benzoate
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| Structure |
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| Formula |
C39H38FNO13
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| Molecular Weight |
747.725
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| Canonical SMILES |
COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)c1ccc(F)c(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)c1)C2=O
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| InChI |
InChI=1S/C39H38FNO13/c1-45-23-18-26(46-2)33-27(19-23)53-35(22-16-30(49-5)37(52-8)31(17-22)50-6)38(34(33)43)54-39(44)21-10-11-24(40)25(15-21)41-32(42)12-9-20-13-28(47-3)36(51-7)29(14-20)48-4/h9-19,35,38H,1-8H3,(H,41,42)/b12-9+/t35-,38+/m1/s1
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| InChIKey |
SPGQDVWNVYQKAD-PCCUFMBJSA-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