General Information of the Compound
| Compound ID |
CP0572045
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| Compound Name |
[(1S,2R,4R,5R,6S,7S,8R,9R,12R)-4,5,8,12-tetraacetyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
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| Structure |
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| Formula |
C30H38O11
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| Molecular Weight |
574.623
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| Canonical SMILES |
C[C@@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(C)[C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C
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| InChI |
InChI=1S/C30H38O11/c1-15-14-21(36-16(2)31)24(38-18(4)33)29(8)26(40-27(35)20-12-10-9-11-13-20)23(37-17(3)32)22-25(39-19(5)34)30(15,29)41-28(22,6)7/h9-13,15,21-26H,14H2,1-8H3/t15-,21-,22-,23-,24+,25-,26-,29+,30-/m1/s1
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| InChIKey |
AGDIWSDYRLWGIC-RSWYGVMDSA-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