General Information of the Compound
| Compound ID |
CP0132592
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| Compound Name |
[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
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| Structure |
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| Formula |
C17H16O5
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| Molecular Weight |
300.31
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| Canonical SMILES |
COc1ccc(cc1)C(=O)COC(=O)c1cc(C)ccc1O
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| InChI |
InChI=1S/C17H16O5/c1-11-3-8-15(18)14(9-11)17(20)22-10-16(19)12-4-6-13(21-2)7-5-12/h3-9,18H,10H2,1-2H3
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| InChIKey |
BLBCTMGFGIFKTC-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