General Information of the Compound
| Compound ID |
CP0569836
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| Compound Name |
2-[4,8-dimethyl-2-oxo-7-[[5-(trifluoromethyl)furan-2-yl]methoxy]chromen-3-yl]acetic acid
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| Structure |
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| Formula |
C19H15F3O6
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| Molecular Weight |
396.317
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| Canonical SMILES |
Cc1c(OCc2ccc(o2)C(F)(F)F)ccc2c(C)c(CC(O)=O)c(=O)oc12
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| InChI |
InChI=1S/C19H15F3O6/c1-9-12-4-5-14(26-8-11-3-6-15(27-11)19(20,21)22)10(2)17(12)28-18(25)13(9)7-16(23)24/h3-6H,7-8H2,1-2H3,(H,23,24)
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| InChIKey |
NWKATMHVWXXEAC-UHFFFAOYSA-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