General Information of the Compound
| Compound ID |
CP0501232
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| Compound Name |
(E)-3-[4-[[7-hydroxy-2-oxo-3-[4-(trifluoromethyl)phenyl]chromen-4-yl]methyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C26H17F3O5
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| Molecular Weight |
466.411
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(Cc2c(-c3ccc(cc3)C(F)(F)F)c(=O)oc3cc(O)ccc23)cc1
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| InChI |
InChI=1S/C26H17F3O5/c27-26(28,29)18-8-6-17(7-9-18)24-21(20-11-10-19(30)14-22(20)34-25(24)33)13-16-3-1-15(2-4-16)5-12-23(31)32/h1-12,14,30H,13H2,(H,31,32)/b12-5+
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| InChIKey |
GVVFYPITZWHERL-LFYBBSHMSA-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