General Information of the Compound
| Compound ID |
CP0442405
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| Compound Name |
4-(4-phenyl-5-(trifluoromethyl)isoxazol-3-yl)phenol
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| Structure |
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| Formula |
C16H10F3NO2
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| Molecular Weight |
305.255
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| Canonical SMILES |
Oc1ccc(cc1)-c1noc(c1-c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C16H10F3NO2/c17-16(18,19)15-13(10-4-2-1-3-5-10)14(20-22-15)11-6-8-12(21)9-7-11/h1-9,21H
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| InChIKey |
ZRHZEPFBMCFVEY-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