General Information of the Compound
| Compound ID |
CP0405700
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| Compound Name |
[(1R,6R,8S,11S,13S,16R,17S)-8-tert-butyl-16-methyl-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecan-6-yl] acetate
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| Structure |
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| Formula |
C22H26O9
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| Molecular Weight |
434.441
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| Canonical SMILES |
C[C@@H]1[C@H]2[C@H](C[C@@]34C5C[C@@H](C(C)(C)C)C33C(OC(=O)[C@@H]3OC(C)=O)O[C@]24C(=O)O5)OC1=O
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| InChI |
InChI=1S/C22H26O9/c1-8-13-10(28-15(8)24)7-20-12-6-11(19(3,4)5)21(20)14(27-9(2)23)16(25)30-18(21)31-22(13,20)17(26)29-12/h8,10-14,18H,6-7H2,1-5H3/t8-,10+,11+,12?,13+,14+,18?,20-,21?,22+/m1/s1
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| InChIKey |
IOAIEQUCGXRBBY-KRCNBCJPSA-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