General Information of the Compound
| Compound ID |
CP0055818
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| Compound Name |
(E)-3-[4-[[7-hydroxy-8-methyl-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 |
C27H19F3O6
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| Molecular Weight |
496.437
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| Canonical SMILES |
Cc1c(O)ccc2c(Cc3ccc(\C=C\C(O)=O)cc3)c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc12
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| InChI |
InChI=1S/C27H19F3O6/c1-15-22(31)12-11-20-21(14-17-4-2-16(3-5-17)6-13-23(32)33)24(26(34)35-25(15)20)18-7-9-19(10-8-18)36-27(28,29)30/h2-13,31H,14H2,1H3,(H,32,33)/b13-6+
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| InChIKey |
SAHJLVJUVDVFLR-AWNIVKPZSA-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