General Information of the Compound
| Compound ID |
CP0433588
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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-hexyloxy-2-methoxy-ethyl)-benzo[1,3]dioxole
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| Structure |
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| Formula |
C37H48O9
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| Molecular Weight |
636.782
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| Canonical SMILES |
CCCCCCOC(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/C37H48O9/c1-8-9-10-11-18-42-36(27-13-16-29-33(21-27)44-22-43-29)37(41-7)45-30-17-14-26(20-32(30)40-6)35-24(3)23(2)34(46-35)25-12-15-28(38-4)31(19-25)39-5/h12-17,19-21,23-24,34-37H,8-11,18,22H2,1-7H3/t23-,24+,34+,35-,36?,37?/m0/s1
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| InChIKey |
PDFCOXIQWAJVFD-IIOXYAKOSA-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