General Information of the Compound
| Compound ID |
CP0378865
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| Compound Name |
5-(2-{4-[(2S,3R,4S,5R)-5-(3,4-Dimethoxy-phenyl)-3,4-dimethyl-tetrahydro-furan-2-yl]-2-methoxy-phenoxy}-1-ethoxy-2-methoxy-ethyl)-benzo[1,3]dioxole
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| Structure |
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| Formula |
C33H40O9
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| Molecular Weight |
580.674
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| Canonical SMILES |
CCOC(C(OC)Oc1ccc(cc1OC)[C@H]1O[C@H]([C@@H](C)[C@H]1C)c1ccc(OC)c(OC)c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C33H40O9/c1-8-38-32(23-10-13-25-29(17-23)40-18-39-25)33(37-7)41-26-14-11-22(16-28(26)36-6)31-20(3)19(2)30(42-31)21-9-12-24(34-4)27(15-21)35-5/h9-17,19-20,30-33H,8,18H2,1-7H3/t19-,20+,30+,31-,32?,33?/m0/s1
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| InChIKey |
VSYXWCLFLNKVDI-SURMKXMSSA-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