General Information of the Compound
| Compound ID |
CP0126172
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| Compound Name |
(2-fluorophenyl) (1S,2S,4S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-oxo-7lambda4-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate
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| Structure |
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| Formula |
C26H23FO6S2
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| Molecular Weight |
514.596
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| Canonical SMILES |
Cc1cc(O)ccc1C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1ccccc1F)c1ccc(O)cc1C
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| InChI |
InChI=1S/C26H23FO6S2/c1-14-11-16(28)7-9-18(14)24-22-13-23(35(31,32)33-21-6-4-3-5-20(21)27)26(34(22)30)25(24)19-10-8-17(29)12-15(19)2/h3-12,22-23,26,28-29H,13H2,1-2H3/t22-,23-,26+,34?/m0/s1
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| InChIKey |
AGUBZHXQTXTWBX-IUWAWUICSA-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