General Information of the Compound
| Compound ID |
CP0391754
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| Compound Name |
[(1S,2S,5S,6S,7R,8S,9R,12R)-5-acetyloxy-7-benzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-8-[(Z)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-12-yl] pyrazine-2-carboxylate
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| Structure |
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| Formula |
C38H40N2O10
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| Molecular Weight |
684.742
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| Canonical SMILES |
CC(=O)O[C@H]1CC[C@](C)(O)[C@@]23OC(C)(C)[C@@H]([C@H]2OC(=O)c2cnccn2)[C@H](OC(=O)\C=C/c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@]13C
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| InChI |
InChI=1S/C38H40N2O10/c1-23(41)46-27-18-19-36(4,45)38-31(48-34(44)26-22-39-20-21-40-26)29(35(2,3)50-38)30(47-28(42)17-16-24-12-8-6-9-13-24)32(37(27,38)5)49-33(43)25-14-10-7-11-15-25/h6-17,20-22,27,29-32,45H,18-19H2,1-5H3/b17-16-/t27-,29+,30-,31+,32-,36-,37-,38-/m0/s1
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| InChIKey |
QGJPUCPFJPXNIT-OZOVEVILSA-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