General Information of the Compound
| Compound ID |
CP0092192
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| Compound Name |
4-[C-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]phenol
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| Structure |
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| Formula |
C20H14F3NO2
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| Molecular Weight |
357.331
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| Canonical SMILES |
Oc1ccc(cc1)C(=Nc1cccc(c1)C(F)(F)F)c1ccc(O)cc1
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| InChI |
InChI=1S/C20H14F3NO2/c21-20(22,23)15-2-1-3-16(12-15)24-19(13-4-8-17(25)9-5-13)14-6-10-18(26)11-7-14/h1-12,25-26H
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| InChIKey |
LCEDFYWJXYKPTO-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