General Information of the Compound
| Compound ID |
CP0432190
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| Compound Name |
5-(cyclohexylmethoxy)-3-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]chromen-4-one
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| Structure |
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| Formula |
C26H25F3O4
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| Molecular Weight |
458.476
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)C(=O)CCc1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C26H25F3O4/c27-26(28,29)20-12-9-18(10-13-20)21(30)14-11-19-16-33-23-8-4-7-22(24(23)25(19)31)32-15-17-5-2-1-3-6-17/h4,7-10,12-13,16-17H,1-3,5-6,11,14-15H2
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| InChIKey |
ZRHLEOKFPHJVMM-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