General Information of the Compound
| Compound ID |
CP0475875
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| Compound Name |
5-(1-Butoxy-2-{4-[(2S,3R,4S,5R)-5-(3,4-dimethoxy-phenyl)-3,4-dimethyl-tetrahydro-furan-2-yl]-2-methoxy-phenoxy}-2-methoxy-ethyl)-benzo[1,3]dioxole
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| Structure |
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| Formula |
C35H44O9
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| Molecular Weight |
608.728
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| Canonical SMILES |
CCCCOC(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/C35H44O9/c1-8-9-16-40-34(25-11-14-27-31(19-25)42-20-41-27)35(39-7)43-28-15-12-24(18-30(28)38-6)33-22(3)21(2)32(44-33)23-10-13-26(36-4)29(17-23)37-5/h10-15,17-19,21-22,32-35H,8-9,16,20H2,1-7H3/t21-,22+,32+,33-,34?,35?/m0/s1
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| InChIKey |
WRWMSSDQPBNXIT-UDFCVRPASA-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