General Information of the Compound
| Compound ID |
CP0462855
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| Compound Name |
methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6-[[(2S,3R,6S)-6-(2-hydroxyethyl)-3-methoxy-1,4-dioxan-2-yl]oxy]-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
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| Structure |
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| Formula |
C34H38O12
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| Molecular Weight |
638.666
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| Canonical SMILES |
CO[C@@H]1OC[C@H](CCO)O[C@H]1Oc1cc2O[C@]3([C@@H]([C@H]([C@@H](O)[C@@]3(O)c2c(OC)c1)C(=O)OC)c1ccccc1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C34H38O12/c1-39-21-12-10-20(11-13-21)34-27(19-8-6-5-7-9-19)26(30(37)41-3)29(36)33(34,38)28-24(40-2)16-23(17-25(28)46-34)45-32-31(42-4)43-18-22(44-32)14-15-35/h5-13,16-17,22,26-27,29,31-32,35-36,38H,14-15,18H2,1-4H3/t22-,26+,27+,29+,31+,32-,33-,34-/m0/s1
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| InChIKey |
FHFGXZOISSRNIH-VVGMJCCQSA-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