General Information of the Compound
| Compound ID |
CP0403822
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| Compound Name |
[(1S,2S,5S,6S,7R,8S,9R,12R)-5,12-diacetyloxy-2,6,10,10-tetramethyl-2-(2-morpholin-4-ylacetyl)oxy-8-[(E)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
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| Structure |
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| Formula |
C41H49NO12
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| Molecular Weight |
747.838
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| Canonical SMILES |
CC(=O)O[C@@H]1[C@H]2[C@H](OC(=O)\C=C\c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@H](CC[C@](C)(OC(=O)CN4CCOCC4)[C@@]13OC2(C)C)OC(C)=O
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| InChI |
InChI=1S/C41H49NO12/c1-26(43)49-30-19-20-39(5,53-32(46)25-42-21-23-48-24-22-42)41-35(50-27(2)44)33(38(3,4)54-41)34(51-31(45)18-17-28-13-9-7-10-14-28)36(40(30,41)6)52-37(47)29-15-11-8-12-16-29/h7-18,30,33-36H,19-25H2,1-6H3/b18-17+/t30-,33+,34-,35+,36-,39-,40-,41-/m0/s1
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| InChIKey |
QPIYZWBEAYTXHR-LVJFDZMASA-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