General Information of the Compound
| Compound ID |
CP0385884
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| Compound Name |
[(1S,2S,5S,6S,7R,8S,9R,12R)-5,12-diacetyloxy-2,6,10,10-tetramethyl-2-[2-(2-methylpropylamino)acetyl]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 |
C41H51NO11
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| Molecular Weight |
733.855
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| Canonical SMILES |
CC(C)CNCC(=O)O[C@@]1(C)CC[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)\C=C\c3ccccc3)[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C
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| InChI |
InChI=1S/C41H51NO11/c1-25(2)23-42-24-32(46)52-39(7)22-21-30(48-26(3)43)40(8)36(51-37(47)29-17-13-10-14-18-29)34(50-31(45)20-19-28-15-11-9-12-16-28)33-35(49-27(4)44)41(39,40)53-38(33,5)6/h9-20,25,30,33-36,42H,21-24H2,1-8H3/b20-19+/t30-,33+,34-,35+,36-,39-,40-,41-/m0/s1
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| InChIKey |
WSBDWFLNRWLXNZ-BCJKPQACSA-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