General Information of the Compound
| Compound ID |
CP0060294
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| Compound Name |
4-[C-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]benzene-1,3-diol
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| Formula |
C20H14F3NO3
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| Molecular Weight |
373.33
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| Canonical SMILES |
Oc1ccc(cc1)C(=N/c1cccc(c1)C(F)(F)F)\c1ccc(O)cc1O
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| InChI |
InChI=1S/C20H14F3NO3/c21-20(22,23)13-2-1-3-14(10-13)24-19(12-4-6-15(25)7-5-12)17-9-8-16(26)11-18(17)27/h1-11,25-27H/b24-19+
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| InChIKey |
NUZSYQFUNTVDIZ-LYBHJNIJSA-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