General Information of the Compound
| Compound ID |
CP0563030
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| Compound Name |
ethyl 6-iodo-2-(trifluoromethyl)-2H-chromene-3-carboxylate
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| Structure |
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| Formula |
C13H10F3IO3
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| Molecular Weight |
398.118
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| Canonical SMILES |
CCOC(=O)C1=Cc2cc(I)ccc2OC1C(F)(F)F
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| InChI |
InChI=1S/C13H10F3IO3/c1-2-19-12(18)9-6-7-5-8(17)3-4-10(7)20-11(9)13(14,15)16/h3-6,11H,2H2,1H3
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| InChIKey |
KIADFFIAQBSTBM-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