General Information of the Compound
| Compound ID |
CP0876433
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| Compound Name |
(2R,3R)-5,7-Dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-chroman-3-yl 3-((E)-3-(3,4-dimethoxyphenyl)acrylamido)-4-fluorobenzoate
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| Structure |
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| Formula |
C38H36FNO12
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| Molecular Weight |
717.699
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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/c3ccc(OC)c(OC)c3)c1)C2=O
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| InChI |
InChI=1S/C38H36FNO12/c1-44-23-18-28(47-4)33-29(19-23)51-35(22-16-30(48-5)36(50-7)31(17-22)49-6)37(34(33)42)52-38(43)21-10-11-24(39)25(15-21)40-32(41)13-9-20-8-12-26(45-2)27(14-20)46-3/h8-19,35,37H,1-7H3,(H,40,41)/b13-9+/t35-,37+/m1/s1
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| InChIKey |
HTURZGPZGDXBHE-IBOTZCERSA-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