General Information of the Compound
| Compound ID |
CP0232128
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| Compound Name |
(3-chlorophenyl) 6-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
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| Structure |
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| Formula |
C32H25ClO7S
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| Molecular Weight |
589.065
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| Canonical SMILES |
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc(Cl)c1)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1
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| InChI |
InChI=1S/C32H25ClO7S/c33-23-2-1-3-27(16-23)40-41(37,38)29-18-28-30(21-10-12-24(34)13-11-21)31(32(29)39-28)22-8-6-19(7-9-22)4-5-20-14-25(35)17-26(36)15-20/h1-17,28-29,32,34-36H,18H2/b5-4+
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| InChIKey |
VPLMMNQKKUOLIS-SNAWJCMRSA-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