General Information of the Compound
| Compound ID |
CP0316736
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| Compound Name |
4-[C-(4-hydroxyphenyl)-N-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol
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| Formula |
C20H17NO4
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| Molecular Weight |
335.359
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| Canonical SMILES |
COc1ccc(cc1)\N=C(/c1ccc(O)cc1)c1ccc(O)cc1O
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| InChI |
InChI=1S/C20H17NO4/c1-25-17-9-4-14(5-10-17)21-20(13-2-6-15(22)7-3-13)18-11-8-16(23)12-19(18)24/h2-12,22-24H,1H3/b21-20+
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| InChIKey |
FUCOSHRAUPZJRU-QZQOTICOSA-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