General Information of the Compound
| Compound ID |
CP0415719
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| Compound Name |
(3-hydroxyphenyl) 3-fluorobenzoate
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| Structure |
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| Formula |
C13H9FO3
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| Molecular Weight |
232.21
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| Canonical SMILES |
Oc1cccc(OC(=O)c2cccc(F)c2)c1
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| InChI |
InChI=1S/C13H9FO3/c14-10-4-1-3-9(7-10)13(16)17-12-6-2-5-11(15)8-12/h1-8,15H
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| InChIKey |
QRWUMUYKLBZYJJ-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