General Information of the Compound
| Compound ID |
CP0849538
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| Compound Name |
(2R,3R)-5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)chroman-3-yl 3-acetamido-4-fluorobenzoate
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| Structure |
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| Formula |
C29H30FNO9
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| Molecular Weight |
555.555
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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(C)=O)c1)C2
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| InChI |
InChI=1S/C29H30FNO9/c1-15(32)31-21-9-16(7-8-20(21)30)29(33)40-26-14-19-22(35-3)12-18(34-2)13-23(19)39-27(26)17-10-24(36-4)28(38-6)25(11-17)37-5/h7-13,26-27H,14H2,1-6H3,(H,31,32)/t26-,27-/m1/s1
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| InChIKey |
OXZHUHGNLRNJCM-KAYWLYCHSA-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