General Information of the Compound
| Compound ID |
CP0397396
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| Compound Name |
(1R,2R,3S,3aR,8bS)-6-[[(2S,3R,6R)-6-[(1S)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
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| Structure |
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| Formula |
C35H41NO12
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| Molecular Weight |
667.708
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| Canonical SMILES |
CO[C@@H]1OC[C@@H](O[C@H]1Oc1cc2O[C@]3([C@@H]([C@H]([C@@H](O)[C@@]3(O)c2c(OC)c1)C(=O)N(C)C)c1ccccc1)c1ccc(OC)cc1)[C@@H](O)CO
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| InChI |
InChI=1S/C35H41NO12/c1-36(2)31(40)27-28(19-9-7-6-8-10-19)35(20-11-13-21(42-3)14-12-20)34(41,30(27)39)29-24(43-4)15-22(16-25(29)48-35)46-33-32(44-5)45-18-26(47-33)23(38)17-37/h6-16,23,26-28,30,32-33,37-39,41H,17-18H2,1-5H3/t23-,26+,27+,28+,30+,32+,33+,34-,35-/m0/s1
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| InChIKey |
WACSSQGELZNGOK-STYOYIMCSA-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