General Information of the Compound
| Compound ID |
CP0451025
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| Compound Name |
3-Benzyl-4-hydroxy-naphthalene-1-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C20H18O3
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| Molecular Weight |
306.361
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| Canonical SMILES |
CCOC(=O)c1cc(Cc2ccccc2)c(O)c2ccccc12
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| InChI |
InChI=1S/C20H18O3/c1-2-23-20(22)18-13-15(12-14-8-4-3-5-9-14)19(21)17-11-7-6-10-16(17)18/h3-11,13,21H,2,12H2,1H3
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| InChIKey |
HYGWPGQIIWTUKL-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