General Information of the Compound
| Compound ID |
CP0118730
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| Compound Name |
[2-(trifluoromethyl)phenyl] 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 |
C33H25F3O7S
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| Molecular Weight |
622.617
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| Canonical SMILES |
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccccc1C(F)(F)F)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1
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| InChI |
InChI=1S/C33H25F3O7S/c34-33(35,36)26-3-1-2-4-27(26)43-44(40,41)29-18-28-30(21-11-13-23(37)14-12-21)31(32(29)42-28)22-9-7-19(8-10-22)5-6-20-15-24(38)17-25(39)16-20/h1-17,28-29,32,37-39H,18H2/b6-5+
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| InChIKey |
XCMVNCXQVSNEQV-AATRIKPKSA-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