General Information of the Compound
| Compound ID |
CP0144460
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| Compound Name |
(4-hydroxyphenyl) (1S,2S,4S)-5,6-bis(4-hydroxyphenyl)-7-oxo-7lambda4-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate
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| Structure |
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| Formula |
C24H20O7S2
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| Molecular Weight |
484.551
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| Canonical SMILES |
Oc1ccc(OS(=O)(=O)[C@H]2C[C@H]3C(=C([C@@H]2S3=O)c2ccc(O)cc2)c2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C24H20O7S2/c25-16-5-1-14(2-6-16)22-20-13-21(33(29,30)31-19-11-9-18(27)10-12-19)24(32(20)28)23(22)15-3-7-17(26)8-4-15/h1-12,20-21,24-27H,13H2/t20-,21-,24+,32?/m0/s1
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| InChIKey |
VWAPPCBDNGJJNO-HUGUDLDGSA-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