General Information of the Compound
| Compound ID |
CP0435625
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| Compound Name |
(1S,8S,11S,13S,16S,17R)-8-tert-butyl-17-hydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,6,15,18-tetrone
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| Structure |
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| Formula |
C20H22O9
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| Molecular Weight |
406.387
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| Canonical SMILES |
C[C@@H]1C(=O)O[C@H]2C[C@@]34C5C[C@@H](C(C)(C)C)C33C(OC(=O)C3=O)O[C@]4(C(=O)O5)[C@@]12O
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| InChI |
InChI=1S/C20H22O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-10,15,25H,5-6H2,1-4H3/t7-,8+,9?,10+,15?,17-,18?,19-,20+/m1/s1
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| InChIKey |
RHHKORAMUFJXGE-FHOKLSSGSA-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
Protein ID: PT05068, Glycine receptor subunit alpha-1
Protein ID: PT06069, Glycine receptor subunit alpha-2