General Information of the Compound
| Compound ID |
CP0193230
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| Compound Name |
2-(4-{(2S,3R,4R,5S)-5-[4-(2-Benzo[1,3]dioxol-5-yl-2-hydroxy-1-methyl-ethoxy)-3-methoxy-phenyl]-3,4-dimethyl-tetrahydro-furan-2-yl}-2-methoxy-phenoxy)-1-(3,4-dimethoxy-phenyl)-propan-1-ol
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| Structure |
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| Formula |
C41H48O11
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| Molecular Weight |
716.824
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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)c2ccc3OCOc3c2)c(OC)c1
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| InChI |
InChI=1S/C41H48O11/c1-22-23(2)41(29-12-16-33(36(20-29)47-8)51-25(4)39(43)27-10-14-31-37(18-27)49-21-48-31)52-40(22)28-11-15-32(35(19-28)46-7)50-24(3)38(42)26-9-13-30(44-5)34(17-26)45-6/h9-20,22-25,38-43H,21H2,1-8H3/t22-,23-,24?,25?,38?,39?,40+,41+/m1/s1
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| InChIKey |
GSWZMFDCPMPHDL-BNOKCTPTSA-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