General Information of the Compound
| Compound ID |
CP0445831
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| Compound Name |
(1R,6R,8S,11R)-8-tert-butyl-13-methoxy-5,15,16-trioxo-2,4,14,17-tetraoxapentacyclo[8.5.2.0^{1,11}.0^{3,7}.0^{7,11}]heptadecan-6-yl acetate
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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 |
COC1C[C@]23C4C[C@@H](C(C)(C)C)C22C(OC(=O)[C@@H]2OC(C)=O)O[C@]3(C(=O)O4)C(=O)O1
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| InChI |
InChI=1S/C20H24O10/c1-8(21)26-12-13(22)29-16-19(12)9(17(2,3)4)6-10-18(19)7-11(25-5)28-15(24)20(18,30-16)14(23)27-10/h9-12,16H,6-7H2,1-5H3/t9-,10?,11?,12-,16?,18-,19?,20+/m0/s1
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| InChIKey |
JXHBYEFNSGZTCA-DJCMAJRASA-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