General Information of the Compound
| Compound ID |
CP0486272
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| Compound Name |
(6R,8S,11S,16R,17S)-8-tert-butyl-6,16,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione
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| Structure |
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| Formula |
C20H24O10
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| Molecular Weight |
424.402
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| Canonical SMILES |
CC(C)(C)[C@@H]1CC2OC(=O)C34OC5OC(=O)[C@H](O)C15[C@@]23CC1OC(=O)[C@](C)(O)[C@]41O
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| InChI |
InChI=1S/C20H24O10/c1-15(2,3)7-5-8-17-6-9-19(26,16(4,25)12(23)28-9)20(17,13(24)27-8)30-14-18(7,17)10(21)11(22)29-14/h7-10,14,21,25-26H,5-6H2,1-4H3/t7-,8?,9?,10-,14?,16-,17+,18?,19-,20?/m0/s1
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| InChIKey |
CXKDMDVEHLPRGY-SEYONYFISA-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