General Information of the Compound
| Compound ID |
CP0431576
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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}-2-methoxy-1-pentyloxy-ethyl)-benzo[1,3]dioxole
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| Structure |
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| Formula |
C36H46O9
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| Molecular Weight |
622.755
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| Canonical SMILES |
CCCCCOC(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/C36H46O9/c1-8-9-10-17-41-35(26-12-15-28-32(20-26)43-21-42-28)36(40-7)44-29-16-13-25(19-31(29)39-6)34-23(3)22(2)33(45-34)24-11-14-27(37-4)30(18-24)38-5/h11-16,18-20,22-23,33-36H,8-10,17,21H2,1-7H3/t22-,23+,33+,34-,35?,36?/m0/s1
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| InChIKey |
UKJMKBDVCWDWBD-GULGCAMXSA-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