General Information of the Compound
| Compound ID |
CP0094042
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| Compound Name |
phenyl (1S,2S,4S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-oxo-7lambda4-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate
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| Structure |
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| Formula |
C26H24O6S2
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| Molecular Weight |
496.606
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| Canonical SMILES |
Cc1cc(ccc1O)C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1ccccc1)c1ccc(O)c(C)c1
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| InChI |
InChI=1S/C26H24O6S2/c1-15-12-17(8-10-20(15)27)24-22-14-23(34(30,31)32-19-6-4-3-5-7-19)26(33(22)29)25(24)18-9-11-21(28)16(2)13-18/h3-13,22-23,26-28H,14H2,1-2H3/t22-,23-,26+,33?/m0/s1
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| InChIKey |
INLLIOJSOIHTGX-LUKPEUAPSA-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