General Information of the Compound
| Compound ID |
CP0498088
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| Compound Name |
methyl (2R)-2-[(1S,2R,3S,6S,8S,10S)-10-tert-butyl-2-hydroxy-16-methoxy-3-methyl-4,14-dioxo-5,13,15-trioxapentacyclo[7.5.2.01,8.02,6.08,12]hexadecan-9-yl]-2-methoxyacetate
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| Structure |
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| Formula |
C23H32O10
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| Molecular Weight |
468.499
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| Canonical SMILES |
CO[C@@H](C(=O)OC)C12C(OC)O[C@@]34C(=O)OC(C[C@H]1C(C)(C)C)[C@]23C[C@@H]1OC(=O)[C@@H](C)[C@]41O
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| InChI |
InChI=1S/C23H32O10/c1-10-15(24)31-13-9-20-12-8-11(19(2,3)4)21(20,14(28-5)16(25)29-6)18(30-7)33-23(20,17(26)32-12)22(10,13)27/h10-14,18,27H,8-9H2,1-7H3/t10-,11+,12?,13+,14+,18?,20-,21?,22-,23+/m1/s1
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| InChIKey |
UNZQPJVKRCVMPC-KJCNSVPDSA-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