General Information of the Compound
| Compound ID |
CP0285941
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| Compound Name |
1-(3,4-Dimethoxy-phenyl)-2-[4-((2S,3R,4R,5S)-5-{4-[2-(3,4-dimethoxy-phenyl)-2-hydroxy-1-methyl-ethoxy]-3-methoxy-phenyl}-3,4-dimethyl-tetrahydro-furan-2-yl)-2-methoxy-phenoxy]-propan-1-ol
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| Structure |
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| Formula |
C42H52O11
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| Molecular Weight |
732.867
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| Canonical SMILES |
COc1ccc(cc1OC)C(O)C(C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(OC(C)C(O)c2ccc(OC)c(OC)c2)c(OC)c1
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| InChI |
InChI=1S/C42H52O11/c1-23-24(2)42(30-14-18-34(38(22-30)50-10)52-26(4)40(44)28-12-16-32(46-6)36(20-28)48-8)53-41(23)29-13-17-33(37(21-29)49-9)51-25(3)39(43)27-11-15-31(45-5)35(19-27)47-7/h11-26,39-44H,1-10H3/t23-,24-,25?,26?,39?,40?,41+,42+/m1/s1
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| InChIKey |
ZGXXNVOBEIRACL-JAWLWFRMSA-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