General Information of the Compound
| Compound ID |
CP0576182
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| Compound Name |
ethyl 2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxybutanoate
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| Structure |
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| Formula |
C16H15F3O5
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| Molecular Weight |
344.285
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| Canonical SMILES |
CCOC(=O)C(CC)Oc1ccc2c(cc(=O)oc2c1)C(F)(F)F
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| InChI |
InChI=1S/C16H15F3O5/c1-3-12(15(21)22-4-2)23-9-5-6-10-11(16(17,18)19)8-14(20)24-13(10)7-9/h5-8,12H,3-4H2,1-2H3
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| InChIKey |
XNGOQIYCEMVTTD-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