General Information of the Compound
| Compound ID |
CP0406675
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| Compound Name |
3-benzyl-7-hydroxy-4-(trifluoromethyl)-2H-chromen-2-one
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| Structure |
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| Formula |
C17H11F3O3
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| Molecular Weight |
320.266
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| Canonical SMILES |
Oc1ccc2c(c(Cc3ccccc3)c(=O)oc2c1)C(F)(F)F
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| InChI |
InChI=1S/C17H11F3O3/c18-17(19,20)15-12-7-6-11(21)9-14(12)23-16(22)13(15)8-10-4-2-1-3-5-10/h1-7,9,21H,8H2
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| InChIKey |
BBWVBLPWIQCZOJ-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