General Information of the Compound
| Compound ID |
CP0409798
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| Compound Name |
1-Benzo[1,3]dioxol-5-yl-2-{4-[(2S,3R,4S,5R)-5-(3,4-dimethoxy-phenyl)-3,4-dimethyl-tetrahydro-furan-2-yl]-2-methoxy-phenoxy}-2-methoxy-ethanol
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| Structure |
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| Formula |
C31H36O9
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| Molecular Weight |
552.62
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| Canonical SMILES |
COC(Oc1ccc(cc1OC)[C@H]1O[C@H]([C@@H](C)[C@H]1C)c1ccc(OC)c(OC)c1)C(O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C31H36O9/c1-17-18(2)30(40-29(17)20-8-10-22(33-3)25(14-20)34-4)21-9-12-24(26(15-21)35-5)39-31(36-6)28(32)19-7-11-23-27(13-19)38-16-37-23/h7-15,17-18,28-32H,16H2,1-6H3/t17-,18+,28?,29+,30-,31?/m0/s1
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| InChIKey |
UDZWUACPMKVKTF-GMGVUYHPSA-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