General Information of the Compound
| Compound ID |
CP0545786
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| Compound Name |
methyl 4-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypentanoate
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| Structure |
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| Formula |
C17H17F3O5
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| Molecular Weight |
358.312
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| Canonical SMILES |
COC(=O)C(CC(C)C)Oc1ccc2c(cc(=O)oc2c1)C(F)(F)F
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| InChI |
InChI=1S/C17H17F3O5/c1-9(2)6-14(16(22)23-3)24-10-4-5-11-12(17(18,19)20)8-15(21)25-13(11)7-10/h4-5,7-9,14H,6H2,1-3H3
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| InChIKey |
MMJPZEQZIUAELY-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