General Information of the Compound
| Compound ID |
CP0400790
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| Compound Name |
[2-(4-methoxyphenyl)-2-oxoethyl] 4-hydroxybenzoate
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| Structure |
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| Formula |
C16H14O5
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| Molecular Weight |
286.283
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| Canonical SMILES |
COc1ccc(cc1)C(=O)COC(=O)c1ccc(O)cc1
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| InChI |
InChI=1S/C16H14O5/c1-20-14-8-4-11(5-9-14)15(18)10-21-16(19)12-2-6-13(17)7-3-12/h2-9,17H,10H2,1H3
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| InChIKey |
ZEXMADZDTRAFFL-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
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta