General Information of the Compound
| Compound ID |
CP0846791
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| Compound Name |
(2R,3R)-5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)chroman-3-yl 3-fluorobenzoate
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| Structure |
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| Formula |
C27H27FO8
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| Molecular Weight |
498.503
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| Canonical SMILES |
COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)c1cccc(F)c1)C2
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| InChI |
InChI=1S/C27H27FO8/c1-30-18-12-20(31-2)19-14-24(36-27(29)15-7-6-8-17(28)9-15)25(35-21(19)13-18)16-10-22(32-3)26(34-5)23(11-16)33-4/h6-13,24-25H,14H2,1-5H3/t24-,25-/m1/s1
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| InChIKey |
XQGYRYBAIZWDNZ-JWQCQUIFSA-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