General Information of the Compound
| Compound ID |
CP0445833
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| Compound Name |
(1S,2R,3S,6S,8S,10R)-10-tert-butyl-2-hydroxy-3-methyl-5,13,15-trioxapentacyclo[7.5.2.0^{1,8}.0^{2,6}.0^{8,12}]hexadecane-4,14,16-trione
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| Structure |
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| Formula |
C18H22O7
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| Molecular Weight |
350.367
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| Canonical SMILES |
C[C@@H]1C(=O)O[C@H]2C[C@@]34C5C[C@H](C3C(=O)O[C@]4(C(=O)O5)[C@@]12O)C(C)(C)C
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| InChI |
InChI=1S/C18H22O7/c1-7-12(19)23-10-6-16-9-5-8(15(2,3)4)11(16)13(20)25-18(16,14(21)24-9)17(7,10)22/h7-11,22H,5-6H2,1-4H3/t7-,8-,9?,10+,11?,16-,17-,18+/m1/s1
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| InChIKey |
LYDSQQARURFTGF-UXEAUNEESA-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