General Information of the Compound
| Compound ID |
CP0519364
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| Compound Name |
methyl (3S,4aS,5S,6S,8aR)-3-(furan-3-yl)-4a,6-dimethyl-1-oxo-6-[(2R)-1,4,4-trimethoxy-1-oxobutan-2-yl]-3,4,5,7,8,8a-hexahydroisochromene-5-carboxylate
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| Structure |
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| Formula |
C24H34O9
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| Molecular Weight |
466.527
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| Canonical SMILES |
COC(C[C@@H](C(=O)OC)[C@]1(C)CC[C@H]2C(=O)O[C@@H](C[C@]2(C)[C@H]1C(=O)OC)c1ccoc1)OC
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| InChI |
InChI=1S/C24H34O9/c1-23(16(20(25)30-5)11-18(28-3)29-4)9-7-15-21(26)33-17(14-8-10-32-13-14)12-24(15,2)19(23)22(27)31-6/h8,10,13,15-19H,7,9,11-12H2,1-6H3/t15-,16-,17-,19-,23-,24-/m0/s1
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| InChIKey |
QRSNDFJDBBGKDP-NXGZAZRVSA-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