General Information of the Compound
| Compound ID |
CP0059607
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| Compound Name |
CHEBI:72754
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| Structure |
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| Formula |
C15H10F6O2
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| Molecular Weight |
336.231
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| Canonical SMILES |
Oc1ccc(cc1)C(c1ccc(O)cc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H
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| InChIKey |
ZFVMWEVVKGLCIJ-UHFFFAOYSA-N
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| CAS |
110444-90-1
1478-61-1
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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