General Information of the Compound
| Compound ID |
CP0446643
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| Compound Name |
methyl (2S,4aR,6aR,7R,9R,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,5',10-trioxospiro[1,2,4a,5,6,7,8,10a-octahydrobenzo[f]isochromene-9,2'-oxolane]-7-carboxylate
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| Structure |
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| Formula |
C24H28O8
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| Molecular Weight |
444.48
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| Canonical SMILES |
COC(=O)[C@@H]1C[C@]2(CCC(=O)O2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
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| InChI |
InChI=1S/C24H28O8/c1-22-7-4-14-21(28)31-16(13-6-9-30-12-13)11-23(14,2)18(22)19(26)24(8-5-17(25)32-24)10-15(22)20(27)29-3/h6,9,12,14-16,18H,4-5,7-8,10-11H2,1-3H3/t14-,15-,16-,18-,22-,23-,24+/m0/s1
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| InChIKey |
RILDEVWHTVLHTF-YXVDQPHOSA-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