General Information of the Compound
| Compound ID |
CP0241149
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| Compound Name |
(E)-3-[4-[[2-oxo-3-[4-(trifluoromethoxy)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(OC(F)(F)F)cc3)c(=O)oc3ccccc23)cc1
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| InChI |
InChI=1S/C26H17F3O5/c27-26(28,29)34-19-12-10-18(11-13-19)24-21(20-3-1-2-4-22(20)33-25(24)32)15-17-7-5-16(6-8-17)9-14-23(30)31/h1-14H,15H2,(H,30,31)/b14-9+
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| InChIKey |
CPPVQJPXBMAERF-NTEUORMPSA-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