General Information of the Compound
| Compound ID |
CP0412543
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| Compound Name |
[(1S,2R,5S,10R,11S,13R,16S,17S,18S,20S)-17-acetyl-18-hydroxy-2,6,6,20-tetramethyl-15-oxo-14-oxapentacyclo[11.6.1.02,11.05,10.016,20]icosan-10-yl]methyl acetate
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| Structure |
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| Formula |
C28H42O6
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| Molecular Weight |
474.638
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| Canonical SMILES |
CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]3C[C@H](O)[C@H]([C@@H]4C(=O)O[C@H](C[C@H]21)[C@@]34C)C(C)=O
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| InChI |
InChI=1S/C28H42O6/c1-15(29)22-17(31)12-19-26(5)11-8-18-25(3,4)9-7-10-28(18,14-33-16(2)30)20(26)13-21-27(19,6)23(22)24(32)34-21/h17-23,31H,7-14H2,1-6H3/t17-,18-,19-,20-,21+,22+,23+,26-,27+,28+/m0/s1
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| InChIKey |
VCWVASWFFYSLGB-QYBMFXCASA-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