General Information of the Compound
| Compound ID |
CP0441954
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| Compound Name |
(1R,6R,8S,11S)-8-tert-butyl-6,13-dimethoxy-2,4,14,17-tetraoxapentacyclo[8.5.2.0^{1,11}.0^{3,7}.0^{7,11}]heptadecane-5,15,16-trione
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| Structure |
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| Formula |
C19H24O9
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| Molecular Weight |
396.392
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| Canonical SMILES |
CO[C@H]1C(=O)OC2O[C@@]34C(=O)OC5C[C@@H](C(C)(C)C)C12[C@]35CC(OC)OC4=O
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| InChI |
InChI=1S/C19H24O9/c1-16(2,3)8-6-9-17-7-10(23-4)26-14(22)19(17,13(21)25-9)28-15-18(8,17)11(24-5)12(20)27-15/h8-11,15H,6-7H2,1-5H3/t8-,9?,10?,11-,15?,17+,18?,19+/m0/s1
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| InChIKey |
NNTPCQLOJCHHSL-LCBLUAISSA-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