General Information of the Compound
| Compound ID |
CP0400808
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| Compound Name |
(4-methoxyphenyl) (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 |
C27H26O7S2
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| Molecular Weight |
526.632
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| Canonical SMILES |
COc1ccc(OS(=O)(=O)[C@H]2C[C@H]3C(=C([C@@H]2S3=O)c2ccc(O)cc2C)c2ccc(O)cc2C)cc1
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| InChI |
InChI=1S/C27H26O7S2/c1-15-12-17(28)4-10-21(15)25-23-14-24(36(31,32)34-20-8-6-19(33-3)7-9-20)27(35(23)30)26(25)22-11-5-18(29)13-16(22)2/h4-13,23-24,27-29H,14H2,1-3H3/t23-,24-,27+,35?/m0/s1
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| InChIKey |
LTXMKVUIMJCXAP-KNEPZJTISA-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