General Information of the Compound
| Compound ID |
CP0498087
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| Compound Name |
(1S,6R,8S,11S,13S,16R,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecan-18-one
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| Structure |
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| Formula |
C20H28O7
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| Molecular Weight |
380.437
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| Canonical SMILES |
C[C@@H]1CO[C@H]2C[C@@]34C5C[C@@H](C(C)(C)C)C33[C@@H](O)COC3O[C@]4(C(=O)O5)[C@@]12O
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| InChI |
InChI=1S/C20H28O7/c1-9-7-24-13-6-17-12-5-10(16(2,3)4)18(17)11(21)8-25-15(18)27-20(17,14(22)26-12)19(9,13)23/h9-13,15,21,23H,5-8H2,1-4H3/t9-,10+,11+,12?,13+,15?,17-,18?,19-,20+/m1/s1
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| InChIKey |
QOGPABQRGRYRDW-BWWSXPGSSA-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