General Information of the Compound
| Compound ID |
CP0549405
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| Compound Name |
butyl 3-(4-ethoxyphenyl)benzoate
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| Formula |
C19H22O3
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| Molecular Weight |
298.382
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| Canonical SMILES |
CCCCOC(=O)c1cccc(c1)-c1ccc(OCC)cc1
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| InChI |
InChI=1S/C19H22O3/c1-3-5-13-22-19(20)17-8-6-7-16(14-17)15-9-11-18(12-10-15)21-4-2/h6-12,14H,3-5,13H2,1-2H3
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| InChIKey |
ZGCUORAYGLYSNI-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